data_15800_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15800
_Entry.PDB_ID 1GZW
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 1 B 2 2 CYS H H 2 8.520 nan 8.520 1
1 10 . 1 1 1 B 2 2 CYS HA H 2 4.720 nan 4.720 1
1 13 . 1 1 1 B 2 2 CYS CA C 2 59.420 58.348 1.072 1
1 14 . 1 1 1 B 2 2 CYS CB C 2 26.750 29.430 -2.680 1
1 15 . 1 1 1 B 2 2 CYS N N 2 119.110 115.303 3.807 1
1 16 . 1 1 1 B 3 3 GLY H H 3 8.250 nan 8.250 1
1 17 . 1 1 1 B 3 3 GLY HA2 H 3 4.450 4.018 0.432 1
1 18 . 1 1 1 B 3 3 GLY HA3 H 3 4.000 4.018 -0.018 1
1 19 . 1 1 1 B 3 3 GLY CA C 3 45.010 44.116 0.894 1
1 20 . 1 1 1 B 3 3 GLY N N 3 112.420 109.464 2.956 1
1 21 . 1 1 1 B 4 4 LEU H H 4 7.700 nan 7.700 1
1 22 . 1 1 1 B 4 4 LEU HA H 4 4.280 nan 4.280 1
1 32 . 1 1 1 B 4 4 LEU CA C 4 56.750 56.008 0.742 1
1 33 . 1 1 1 B 4 4 LEU CB C 4 44.050 42.748 1.302 1
1 37 . 1 1 1 B 4 4 LEU N N 4 121.730 122.345 -0.615 1
1 38 . 1 1 1 B 5 5 VAL H H 5 8.020 nan 8.020 1
1 39 . 1 1 1 B 5 5 VAL HA H 5 4.720 nan 4.720 1
1 47 . 1 1 1 B 5 5 VAL CA C 5 62.380 60.909 1.471 1
1 48 . 1 1 1 B 5 5 VAL CB C 5 34.260 34.513 -0.253 1
1 51 . 1 1 1 B 5 5 VAL N N 5 123.520 127.174 -3.654 1
1 52 . 1 1 1 B 6 6 ALA H H 6 9.580 nan 9.580 1
1 53 . 1 1 1 B 6 6 ALA HA H 6 5.670 nan 5.670 1
1 57 . 1 1 1 B 6 6 ALA CA C 6 50.510 50.186 0.324 1
1 58 . 1 1 1 B 6 6 ALA CB C 6 19.880 22.013 -2.133 1
1 59 . 1 1 1 B 6 6 ALA N N 6 129.910 129.644 0.266 1
1 60 . 1 1 1 B 7 7 SER H H 7 9.340 nan 9.340 1
1 61 . 1 1 1 B 7 7 SER HA H 7 5.660 nan 5.660 1
1 64 . 1 1 1 B 7 7 SER CA C 7 56.930 56.064 0.866 1
1 65 . 1 1 1 B 7 7 SER CB C 7 66.100 66.354 -0.254 1
1 66 . 1 1 1 B 7 7 SER N N 7 114.770 114.754 0.016 1
1 67 . 1 1 1 B 8 8 ASN H H 8 8.320 nan 8.320 1
1 68 . 1 1 1 B 8 8 ASN HA H 8 4.490 nan 4.490 1
1 73 . 1 1 1 B 8 8 ASN CA C 8 54.540 54.393 0.147 1
1 74 . 1 1 1 B 8 8 ASN CB C 8 37.070 36.317 0.753 1
1 75 . 1 1 1 B 8 8 ASN N N 8 115.440 116.054 -0.614 1
1 77 . 1 1 1 B 9 9 LEU H H 9 7.970 nan 7.970 1
1 78 . 1 1 1 B 9 9 LEU HA H 9 3.730 nan 3.730 1
1 88 . 1 1 1 B 9 9 LEU CA C 9 57.890 57.672 0.218 1
1 89 . 1 1 1 B 9 9 LEU CB C 9 42.440 41.821 0.619 1
1 93 . 1 1 1 B 9 9 LEU N N 9 115.170 119.803 -4.633 1
1 94 . 1 1 1 B 10 10 ASN H H 10 8.580 nan 8.580 1
1 95 . 1 1 1 B 10 10 ASN HA H 10 4.130 nan 4.130 1
1 100 . 1 1 1 B 10 10 ASN CA C 10 53.580 54.212 -0.632 1
1 101 . 1 1 1 B 10 10 ASN CB C 10 38.400 37.206 1.194 1
1 102 . 1 1 1 B 10 10 ASN N N 10 114.720 117.605 -2.885 1
1 104 . 1 1 1 B 11 11 LEU H H 11 8.080 nan 8.080 1
1 105 . 1 1 1 B 11 11 LEU HA H 11 4.460 nan 4.460 1
1 115 . 1 1 1 B 11 11 LEU CA C 11 55.880 55.480 0.400 1
1 116 . 1 1 1 B 11 11 LEU CB C 11 43.990 43.169 0.821 1
1 120 . 1 1 1 B 11 11 LEU N N 11 120.450 120.935 -0.485 1
1 121 . 1 1 1 B 12 12 LYS H H 12 8.510 nan 8.510 1
1 122 . 1 1 1 B 12 12 LYS HA H 12 4.950 nan 4.950 1
1 123 . 1 1 1 B 12 12 LYS CA C 12 53.600 53.390 0.210 1
1 124 . 1 1 1 B 12 12 LYS CB C 12 34.000 33.083 0.917 1
1 125 . 1 1 1 B 12 12 LYS N N 12 127.390 126.245 1.145 1
1 126 . 1 1 1 B 13 13 PRO HA H 13 3.490 nan 3.490 1
1 133 . 1 1 1 B 13 13 PRO CA C 13 64.280 63.337 0.943 1
1 134 . 1 1 1 B 13 13 PRO CB C 13 31.840 30.898 0.942 1
1 137 . 1 1 1 B 14 14 GLY H H 14 8.780 nan 8.780 1
1 138 . 1 1 1 B 14 14 GLY HA2 H 14 4.340 3.891 0.449 1
1 139 . 1 1 1 B 14 14 GLY HA3 H 14 3.590 3.891 -0.301 1
1 140 . 1 1 1 B 14 14 GLY CA C 14 45.180 45.012 0.168 1
1 141 . 1 1 1 B 14 14 GLY N N 14 113.870 112.592 1.278 1
1 142 . 1 1 1 B 15 15 GLU H H 15 8.020 nan 8.020 1
1 143 . 1 1 1 B 15 15 GLU HA H 15 4.560 nan 4.560 1
1 148 . 1 1 1 B 15 15 GLU CA C 15 56.760 56.934 -0.174 1
1 149 . 1 1 1 B 15 15 GLU CB C 15 33.740 30.750 2.990 1
1 151 . 1 1 1 B 15 15 GLU N N 15 121.190 120.667 0.523 1
1 152 . 1 1 1 B 16 16 CYS H H 16 8.720 nan 8.720 1
1 153 . 1 1 1 B 16 16 CYS HA H 16 5.190 nan 5.190 1
1 156 . 1 1 1 B 16 16 CYS CA C 16 57.040 56.980 0.060 1
1 157 . 1 1 1 B 16 16 CYS CB C 16 30.350 30.070 0.280 1
1 158 . 1 1 1 B 16 16 CYS N N 16 120.400 122.543 -2.143 1
1 159 . 1 1 1 B 17 17 LEU H H 17 8.930 nan 8.930 1
1 160 . 1 1 1 B 17 17 LEU HA H 17 4.930 nan 4.930 1
1 167 . 1 1 1 B 17 17 LEU CA C 17 53.630 53.886 -0.256 1
1 168 . 1 1 1 B 17 17 LEU CB C 17 45.290 43.523 1.767 1
1 170 . 1 1 1 B 17 17 LEU N N 17 128.320 129.906 -1.586 1
1 171 . 1 1 1 B 18 18 ARG H H 18 9.150 nan 9.150 1
1 172 . 1 1 1 B 18 18 ARG HA H 18 5.140 nan 5.140 1
1 179 . 1 1 1 B 18 18 ARG CA C 18 54.960 54.379 0.581 1
1 180 . 1 1 1 B 18 18 ARG CB C 18 33.020 32.151 0.869 1
1 183 . 1 1 1 B 18 18 ARG N N 18 127.230 126.533 0.697 1
1 184 . 1 1 1 B 19 19 VAL H H 19 8.860 nan 8.860 1
1 185 . 1 1 1 B 19 19 VAL HA H 19 4.800 nan 4.800 1
1 193 . 1 1 1 B 19 19 VAL CA C 19 61.190 61.190 0.000 1
1 194 . 1 1 1 B 19 19 VAL CB C 19 32.950 34.583 -1.633 1
1 197 . 1 1 1 B 19 19 VAL N N 19 123.820 124.202 -0.382 1
1 198 . 1 1 1 B 20 20 ARG H H 20 9.050 nan 9.050 1
1 199 . 1 1 1 B 20 20 ARG HA H 20 5.630 nan 5.630 1
1 206 . 1 1 1 B 20 20 ARG CA C 20 54.260 54.317 -0.057 1
1 207 . 1 1 1 B 20 20 ARG CB C 20 28.420 33.361 -4.941 1
1 210 . 1 1 1 B 20 20 ARG N N 20 127.330 129.038 -1.708 1
1 211 . 1 1 1 B 21 21 GLY H H 21 9.130 nan 9.130 1
1 212 . 1 1 1 B 21 21 GLY HA2 H 21 4.240 4.365 -0.125 1
1 213 . 1 1 1 B 21 21 GLY HA3 H 21 2.720 4.365 -1.645 1
1 214 . 1 1 1 B 21 21 GLY CA C 21 45.980 44.746 1.234 1
1 215 . 1 1 1 B 21 21 GLY N N 21 114.500 111.894 2.606 1
1 216 . 1 1 1 B 22 22 GLU H H 22 8.380 nan 8.380 1
1 217 . 1 1 1 B 22 22 GLU HA H 22 4.550 nan 4.550 1
1 222 . 1 1 1 B 22 22 GLU CA C 22 54.720 55.452 -0.732 1
1 223 . 1 1 1 B 22 22 GLU CB C 22 32.180 31.079 1.101 1
1 225 . 1 1 1 B 22 22 GLU N N 22 119.130 119.969 -0.839 1
1 226 . 1 1 1 B 23 23 VAL H H 23 8.990 nan 8.990 1
1 227 . 1 1 1 B 23 23 VAL HA H 23 4.150 nan 4.150 1
1 235 . 1 1 1 B 23 23 VAL CA C 23 62.690 62.300 0.390 1
1 236 . 1 1 1 B 23 23 VAL CB C 23 32.140 32.149 -0.009 1
1 239 . 1 1 1 B 23 23 VAL N N 23 129.820 125.076 4.744 1
1 240 . 1 1 1 B 24 24 ALA H H 24 7.840 nan 7.840 1
1 241 . 1 1 1 B 24 24 ALA HA H 24 4.410 nan 4.410 1
1 245 . 1 1 1 B 24 24 ALA CA C 24 52.580 50.745 1.835 1
1 246 . 1 1 1 B 24 24 ALA CB C 24 18.220 18.139 0.081 1
1 247 . 1 1 1 B 24 24 ALA N N 24 133.090 130.717 2.373 1
1 248 . 1 1 1 B 25 25 PRO HA H 25 4.020 nan 4.020 1
1 254 . 1 1 1 B 25 25 PRO CA C 25 64.600 65.031 -0.431 1
1 255 . 1 1 1 B 25 25 PRO CB C 25 31.870 31.735 0.135 1
1 258 . 1 1 1 B 26 26 ASP H H 26 8.230 nan 8.230 1
1 259 . 1 1 1 B 26 26 ASP HA H 26 4.530 nan 4.530 1
1 262 . 1 1 1 B 26 26 ASP CA C 26 52.320 53.459 -1.139 1
1 263 . 1 1 1 B 26 26 ASP CB C 26 39.540 40.103 -0.563 1
1 264 . 1 1 1 B 26 26 ASP N N 26 116.800 115.348 1.452 1
1 265 . 1 1 1 B 27 27 ALA H H 27 6.720 nan 6.720 1
1 266 . 1 1 1 B 27 27 ALA HA H 27 3.670 nan 3.670 1
1 270 . 1 1 1 B 27 27 ALA CA C 27 53.770 53.342 0.428 1
1 271 . 1 1 1 B 27 27 ALA CB C 27 18.630 19.222 -0.592 1
1 272 . 1 1 1 B 27 27 ALA N N 27 118.840 123.386 -4.546 1
1 273 . 1 1 1 B 28 28 LYS H H 28 9.560 nan 9.560 1
1 274 . 1 1 1 B 28 28 LYS HA H 28 4.620 nan 4.620 1
1 283 . 1 1 1 B 28 28 LYS CA C 28 57.510 57.047 0.463 1
1 284 . 1 1 1 B 28 28 LYS CB C 28 34.050 33.428 0.622 1
1 288 . 1 1 1 B 28 28 LYS N N 28 118.770 123.112 -4.342 1
1 289 . 1 1 1 B 29 29 SER H H 29 8.340 nan 8.340 1
1 290 . 1 1 1 B 29 29 SER HA H 29 5.260 nan 5.260 1
1 293 . 1 1 1 B 29 29 SER CA C 29 58.010 57.779 0.231 1
1 294 . 1 1 1 B 29 29 SER CB C 29 64.660 65.520 -0.860 1
1 295 . 1 1 1 B 29 29 SER N N 29 114.190 111.680 2.510 1
1 296 . 1 1 1 B 30 30 PHE H H 30 8.160 nan 8.160 1
1 297 . 1 1 1 B 30 30 PHE HA H 30 5.240 nan 5.240 1
1 304 . 1 1 1 B 30 30 PHE CA C 30 57.680 55.731 1.949 1
1 305 . 1 1 1 B 30 30 PHE CB C 30 43.050 42.452 0.598 1
1 310 . 1 1 1 B 30 30 PHE N N 30 118.740 117.401 1.339 1
1 311 . 1 1 1 B 31 31 VAL H H 31 8.900 nan 8.900 1
1 312 . 1 1 1 B 31 31 VAL HA H 31 4.990 nan 4.990 1
1 320 . 1 1 1 B 31 31 VAL CA C 31 60.680 60.148 0.532 1
1 321 . 1 1 1 B 31 31 VAL CB C 31 37.740 35.723 2.017 1
1 324 . 1 1 1 B 31 31 VAL N N 31 120.410 120.011 0.399 1
1 325 . 1 1 1 B 32 32 LEU H H 32 8.780 nan 8.780 1
1 326 . 1 1 1 B 32 32 LEU HA H 32 5.240 nan 5.240 1
1 335 . 1 1 1 B 32 32 LEU CA C 32 54.540 53.989 0.551 1
1 336 . 1 1 1 B 32 32 LEU CB C 32 45.930 45.711 0.219 1
1 339 . 1 1 1 B 32 32 LEU N N 32 123.810 127.847 -4.037 1
1 340 . 1 1 1 B 33 33 ASN H H 33 9.590 nan 9.590 1
1 341 . 1 1 1 B 33 33 ASN HA H 33 6.140 nan 6.140 1
1 344 . 1 1 1 B 33 33 ASN CA C 33 51.550 51.865 -0.315 1
1 345 . 1 1 1 B 33 33 ASN CB C 33 41.760 41.419 0.341 1
1 346 . 1 1 1 B 33 33 ASN N N 33 123.600 124.843 -1.243 1
1 347 . 1 1 1 B 34 34 LEU H H 34 9.580 nan 9.580 1
1 348 . 1 1 1 B 34 34 LEU HA H 34 5.710 nan 5.710 1
1 358 . 1 1 1 B 34 34 LEU CA C 34 53.290 53.361 -0.071 1
1 359 . 1 1 1 B 34 34 LEU CB C 34 46.830 46.058 0.772 1
1 362 . 1 1 1 B 34 34 LEU N N 34 120.370 123.438 -3.068 1
1 363 . 1 1 1 B 35 35 GLY H H 35 9.110 nan 9.110 1
1 364 . 1 1 1 B 35 35 GLY HA2 H 35 5.060 4.218 0.842 1
1 365 . 1 1 1 B 35 35 GLY HA3 H 35 4.280 4.218 0.062 1
1 366 . 1 1 1 B 35 35 GLY CA C 35 48.030 46.004 2.026 1
1 367 . 1 1 1 B 35 35 GLY N N 35 107.930 109.838 -1.908 1
1 368 . 1 1 1 B 36 36 LYS H H 36 9.000 nan 9.000 1
1 369 . 1 1 1 B 36 36 LYS HA H 36 4.710 nan 4.710 1
1 376 . 1 1 1 B 36 36 LYS CA C 36 58.630 57.568 1.062 1
1 377 . 1 1 1 B 36 36 LYS CB C 36 34.910 33.272 1.638 1
1 380 . 1 1 1 B 36 36 LYS N N 36 128.560 121.865 6.695 1
1 381 . 1 1 1 B 37 37 ASP H H 37 7.890 nan 7.890 1
1 382 . 1 1 1 B 37 37 ASP HA H 37 3.430 nan 3.430 1
1 385 . 1 1 1 B 37 37 ASP CA C 37 53.010 52.596 0.414 1
1 386 . 1 1 1 B 37 37 ASP CB C 37 40.410 41.374 -0.964 1
1 387 . 1 1 1 B 37 37 ASP N N 37 114.270 115.939 -1.669 1
1 388 . 1 1 1 B 38 38 SER H H 38 7.950 nan 7.950 1
1 389 . 1 1 1 B 38 38 SER HA H 38 3.430 nan 3.430 1
1 392 . 1 1 1 B 38 38 SER CA C 38 61.570 61.038 0.532 1
1 393 . 1 1 1 B 38 38 SER CB C 38 62.980 62.550 0.430 1
1 394 . 1 1 1 B 38 38 SER N N 38 109.930 113.355 -3.425 1
1 395 . 1 1 1 B 39 39 ASN H H 39 7.860 nan 7.860 1
1 396 . 1 1 1 B 39 39 ASN HA H 39 4.550 nan 4.550 1
1 401 . 1 1 1 B 39 39 ASN CA C 39 52.950 53.268 -0.318 1
1 402 . 1 1 1 B 39 39 ASN CB C 39 41.290 39.145 2.145 1
1 403 . 1 1 1 B 39 39 ASN N N 39 117.700 118.318 -0.618 1
1 405 . 1 1 1 B 40 40 ASN H H 40 7.450 nan 7.450 1
1 406 . 1 1 1 B 40 40 ASN HA H 40 5.470 nan 5.470 1
1 411 . 1 1 1 B 40 40 ASN CA C 40 53.010 52.170 0.840 1
1 412 . 1 1 1 B 40 40 ASN CB C 40 41.860 39.779 2.081 1
1 413 . 1 1 1 B 40 40 ASN N N 40 122.780 117.663 5.117 1
1 415 . 1 1 1 B 41 41 LEU H H 41 9.650 nan 9.650 1
1 416 . 1 1 1 B 41 41 LEU HA H 41 5.010 nan 5.010 1
1 423 . 1 1 1 B 41 41 LEU CA C 41 53.630 53.234 0.396 1
1 424 . 1 1 1 B 41 41 LEU CB C 41 43.010 43.588 -0.578 1
1 425 . 1 1 1 B 41 41 LEU N N 41 122.790 124.907 -2.117 1
1 426 . 1 1 1 B 42 42 CYS H H 42 8.810 nan 8.810 1
1 427 . 1 1 1 B 42 42 CYS HA H 42 4.960 nan 4.960 1
1 430 . 1 1 1 B 42 42 CYS CA C 42 56.600 60.199 -3.599 1
1 431 . 1 1 1 B 42 42 CYS CB C 42 29.320 28.340 0.980 1
1 432 . 1 1 1 B 42 42 CYS N N 42 118.680 122.757 -4.077 1
1 433 . 1 1 1 B 43 43 LEU H H 43 8.170 nan 8.170 1
1 434 . 1 1 1 B 43 43 LEU HA H 43 4.730 nan 4.730 1
1 441 . 1 1 1 B 43 43 LEU CA C 43 56.870 54.560 2.310 1
1 442 . 1 1 1 B 43 43 LEU CB C 43 46.240 45.122 1.118 1
1 444 . 1 1 1 B 43 43 LEU N N 43 120.450 120.578 -0.128 1
1 445 . 1 1 1 B 44 44 HIS H H 44 9.160 nan 9.160 1
1 446 . 1 1 1 B 44 44 HIS HA H 44 5.700 nan 5.700 1
1 449 . 1 1 1 B 44 44 HIS CA C 44 55.290 53.742 1.548 1
1 450 . 1 1 1 B 44 44 HIS CB C 44 29.250 31.734 -2.484 1
1 451 . 1 1 1 B 44 44 HIS N N 44 129.650 127.589 2.061 1
1 452 . 1 1 1 B 45 45 PHE H H 45 9.050 nan 9.050 1
1 453 . 1 1 1 B 45 45 PHE HA H 45 4.800 nan 4.800 1
1 458 . 1 1 1 B 45 45 PHE CA C 45 56.420 56.497 -0.077 1
1 459 . 1 1 1 B 45 45 PHE CB C 45 40.530 40.268 0.262 1
1 460 . 1 1 1 B 45 45 PHE N N 45 127.870 129.109 -1.239 1
1 461 . 1 1 1 B 46 46 ASN H H 46 8.430 nan 8.430 1
1 462 . 1 1 1 B 46 46 ASN HA H 46 5.340 nan 5.340 1
1 467 . 1 1 1 B 46 46 ASN CA C 46 49.440 49.484 -0.044 1
1 468 . 1 1 1 B 46 46 ASN CB C 46 41.150 40.411 0.739 1
1 469 . 1 1 1 B 46 46 ASN N N 46 123.030 124.732 -1.702 1
1 471 . 1 1 1 B 47 47 PRO HA H 47 3.890 nan 3.890 1
1 478 . 1 1 1 B 47 47 PRO CA C 47 63.460 62.574 0.886 1
1 479 . 1 1 1 B 47 47 PRO CB C 47 31.100 30.888 0.212 1
1 482 . 1 1 1 B 48 48 ARG H H 48 8.700 nan 8.700 1
1 483 . 1 1 1 B 48 48 ARG HA H 48 4.380 nan 4.380 1
1 484 . 1 1 1 B 48 48 ARG CA C 48 54.660 55.043 -0.383 1
1 485 . 1 1 1 B 48 48 ARG CB C 48 31.800 31.536 0.264 1
1 486 . 1 1 1 B 48 48 ARG N N 48 126.030 125.735 0.295 1
1 487 . 1 1 1 B 49 49 PHE H H 49 8.060 nan 8.060 1
1 488 . 1 1 1 B 49 49 PHE HA H 49 4.040 nan 4.040 1
1 495 . 1 1 1 B 49 49 PHE CA C 49 60.000 59.538 0.462 1
1 496 . 1 1 1 B 49 49 PHE CB C 49 38.700 39.738 -1.038 1
1 497 . 1 1 1 B 49 49 PHE N N 49 123.450 122.542 0.908 1
1 498 . 1 1 1 B 50 50 ASN H H 50 8.080 nan 8.080 1
1 499 . 1 1 1 B 50 50 ASN HA H 50 4.940 nan 4.940 1
1 504 . 1 1 1 B 50 50 ASN CA C 50 53.750 52.668 1.082 1
1 505 . 1 1 1 B 50 50 ASN CB C 50 39.370 39.487 -0.117 1
1 506 . 1 1 1 B 50 50 ASN N N 50 116.270 115.254 1.016 1
1 508 . 1 1 1 B 51 51 ALA H H 51 8.390 nan 8.390 1
1 509 . 1 1 1 B 51 51 ALA HA H 51 4.390 nan 4.390 1
1 513 . 1 1 1 B 51 51 ALA CA C 51 52.870 51.438 1.432 1
1 514 . 1 1 1 B 51 51 ALA CB C 51 19.880 22.393 -2.513 1
1 515 . 1 1 1 B 51 51 ALA N N 51 124.370 125.787 -1.417 1
1 516 . 1 1 1 B 52 52 HIS H H 52 8.900 nan 8.900 1
1 517 . 1 1 1 B 52 52 HIS HA H 52 4.730 nan 4.730 1
1 520 . 1 1 1 B 52 52 HIS CA C 52 56.760 57.112 -0.352 1
1 521 . 1 1 1 B 52 52 HIS CB C 52 26.130 27.500 -1.370 1
1 522 . 1 1 1 B 52 52 HIS N N 52 116.760 120.040 -3.280 1
1 523 . 1 1 1 B 53 53 GLY H H 53 8.540 nan 8.540 1
1 524 . 1 1 1 B 53 53 GLY HA2 H 53 4.170 3.746 0.424 1
1 525 . 1 1 1 B 53 53 GLY HA3 H 53 3.560 3.746 -0.186 1
1 526 . 1 1 1 B 53 53 GLY CA C 53 45.500 45.229 0.271 1
1 527 . 1 1 1 B 53 53 GLY N N 53 106.950 104.796 2.154 1
1 528 . 1 1 1 B 54 54 ASP H H 54 7.980 nan 7.980 1
1 529 . 1 1 1 B 54 54 ASP HA H 54 4.780 nan 4.780 1
1 532 . 1 1 1 B 54 54 ASP CA C 54 54.060 53.041 1.019 1
1 533 . 1 1 1 B 54 54 ASP CB C 54 44.380 43.154 1.226 1
1 534 . 1 1 1 B 54 54 ASP N N 54 120.370 120.114 0.256 1
1 535 . 1 1 1 B 55 55 ALA H H 55 8.110 nan 8.110 1
1 536 . 1 1 1 B 55 55 ALA HA H 55 4.540 nan 4.540 1
1 540 . 1 1 1 B 55 55 ALA CA C 55 50.880 50.251 0.629 1
1 541 . 1 1 1 B 55 55 ALA CB C 55 18.630 22.046 -3.416 1
1 542 . 1 1 1 B 55 55 ALA N N 55 122.030 122.295 -0.265 1
1 543 . 1 1 1 B 56 56 ASN H H 56 8.100 nan 8.100 1
1 544 . 1 1 1 B 56 56 ASN HA H 56 4.040 nan 4.040 1
1 549 . 1 1 1 B 56 56 ASN CA C 56 53.010 53.271 -0.261 1
1 550 . 1 1 1 B 56 56 ASN CB C 56 36.760 36.377 0.383 1
1 551 . 1 1 1 B 56 56 ASN N N 56 125.420 116.635 8.785 1
1 553 . 1 1 1 B 57 57 THR H H 57 7.640 nan 7.640 1
1 554 . 1 1 1 B 57 57 THR HA H 57 4.620 nan 4.620 1
1 559 . 1 1 1 B 57 57 THR CA C 57 61.450 61.225 0.225 1
1 560 . 1 1 1 B 57 57 THR CB C 57 73.110 71.955 1.155 1
1 562 . 1 1 1 B 57 57 THR N N 57 112.330 111.796 0.534 1
1 563 . 1 1 1 B 58 58 ILE H H 58 9.120 nan 9.120 1
1 564 . 1 1 1 B 58 58 ILE HA H 58 3.940 nan 3.940 1
1 568 . 1 1 1 B 58 58 ILE CA C 58 61.810 60.264 1.546 1
1 569 . 1 1 1 B 58 58 ILE CB C 58 38.630 37.814 0.816 1
1 571 . 1 1 1 B 58 58 ILE N N 58 126.730 127.876 -1.146 1
1 572 . 1 1 1 B 59 59 VAL H H 59 7.340 nan 7.340 1
1 573 . 1 1 1 B 59 59 VAL HA H 59 4.360 nan 4.360 1
1 581 . 1 1 1 B 59 59 VAL CA C 59 62.040 61.548 0.492 1
1 582 . 1 1 1 B 59 59 VAL CB C 59 33.800 33.368 0.432 1
1 585 . 1 1 1 B 59 59 VAL N N 59 128.980 128.166 0.814 1
1 586 . 1 1 1 B 60 60 CYS H H 60 8.920 nan 8.920 1
1 587 . 1 1 1 B 60 60 CYS HA H 60 5.930 nan 5.930 1
1 590 . 1 1 1 B 60 60 CYS CA C 60 56.240 56.516 -0.276 1
1 591 . 1 1 1 B 60 60 CYS CB C 60 30.500 31.435 -0.935 1
1 592 . 1 1 1 B 60 60 CYS N N 60 122.810 124.223 -1.413 1
1 593 . 1 1 1 B 61 61 ASN H H 61 8.860 nan 8.860 1
1 594 . 1 1 1 B 61 61 ASN HA H 61 5.250 nan 5.250 1
1 599 . 1 1 1 B 61 61 ASN CA C 61 51.280 52.296 -1.016 1
1 600 . 1 1 1 B 61 61 ASN CB C 61 43.360 42.736 0.624 1
1 601 . 1 1 1 B 61 61 ASN N N 61 118.340 121.948 -3.608 1
1 603 . 1 1 1 B 62 62 SER H H 62 10.180 nan 10.180 1
1 604 . 1 1 1 B 62 62 SER HA H 62 4.780 nan 4.780 1
1 607 . 1 1 1 B 62 62 SER CA C 62 56.890 56.407 0.483 1
1 608 . 1 1 1 B 62 62 SER CB C 62 66.960 66.534 0.426 1
1 609 . 1 1 1 B 62 62 SER N N 62 115.110 115.959 -0.849 1
1 610 . 1 1 1 B 63 63 LYS H H 63 8.900 nan 8.900 1
1 611 . 1 1 1 B 63 63 LYS HA H 63 4.630 nan 4.630 1
1 620 . 1 1 1 B 63 63 LYS CA C 63 56.130 54.550 1.580 1
1 621 . 1 1 1 B 63 63 LYS CB C 63 37.490 35.102 2.388 1
1 625 . 1 1 1 B 63 63 LYS N N 63 121.600 121.939 -0.339 1
1 626 . 1 1 1 B 64 64 ASP H H 64 8.530 nan 8.530 1
1 627 . 1 1 1 B 64 64 ASP HA H 64 5.000 nan 5.000 1
1 630 . 1 1 1 B 64 64 ASP CA C 64 52.610 52.617 -0.007 1
1 631 . 1 1 1 B 64 64 ASP CB C 64 42.990 42.553 0.437 1
1 632 . 1 1 1 B 64 64 ASP N N 64 126.020 126.089 -0.069 1
1 633 . 1 1 1 B 65 65 GLY H H 65 8.700 nan 8.700 1
1 634 . 1 1 1 B 65 65 GLY HA2 H 65 3.780 3.716 0.064 1
1 635 . 1 1 1 B 65 65 GLY HA3 H 65 3.720 3.716 0.004 1
1 636 . 1 1 1 B 65 65 GLY CA C 65 47.670 47.137 0.533 1
1 637 . 1 1 1 B 65 65 GLY N N 65 118.840 113.670 5.170 1
1 638 . 1 1 1 B 66 66 GLY H H 66 8.150 nan 8.150 1
1 639 . 1 1 1 B 66 66 GLY HA2 H 66 4.230 3.838 0.392 1
1 640 . 1 1 1 B 66 66 GLY HA3 H 66 3.130 3.838 -0.708 1
1 641 . 1 1 1 B 66 66 GLY CA C 66 44.730 45.205 -0.475 1
1 642 . 1 1 1 B 66 66 GLY N N 66 103.130 107.449 -4.319 1
1 643 . 1 1 1 B 67 67 ALA H H 67 7.420 nan 7.420 1
1 644 . 1 1 1 B 67 67 ALA HA H 67 4.610 nan 4.610 1
1 648 . 1 1 1 B 67 67 ALA CA C 67 50.700 51.565 -0.865 1
1 649 . 1 1 1 B 67 67 ALA CB C 67 20.360 20.110 0.250 1
1 650 . 1 1 1 B 67 67 ALA N N 67 123.360 123.185 0.175 1
1 651 . 1 1 1 B 68 68 TRP H H 68 8.690 nan 8.690 1
1 652 . 1 1 1 B 68 68 TRP HA H 68 4.960 nan 4.960 1
1 658 . 1 1 1 B 68 68 TRP CA C 68 57.790 57.379 0.411 1
1 659 . 1 1 1 B 68 68 TRP CB C 68 31.140 30.333 0.807 1
1 662 . 1 1 1 B 68 68 TRP N N 68 127.590 123.795 3.795 1
1 664 . 1 1 1 B 69 69 GLY H H 69 8.230 nan 8.230 1
1 665 . 1 1 1 B 69 69 GLY HA2 H 69 4.550 4.112 0.438 1
1 666 . 1 1 1 B 69 69 GLY HA3 H 69 3.640 4.112 -0.472 1
1 667 . 1 1 1 B 69 69 GLY CA C 69 44.960 44.308 0.652 1
1 668 . 1 1 1 B 69 69 GLY N N 69 110.240 111.442 -1.202 1
1 669 . 1 1 1 B 70 70 THR H H 70 8.290 nan 8.290 1
1 670 . 1 1 1 B 70 70 THR HA H 70 4.480 nan 4.480 1
1 675 . 1 1 1 B 70 70 THR CA C 70 62.860 63.312 -0.452 1
1 676 . 1 1 1 B 70 70 THR CB C 70 63.600 69.686 -6.086 1
1 678 . 1 1 1 B 70 70 THR N N 70 118.660 115.035 3.625 1
1 679 . 1 1 1 B 71 71 GLU H H 71 8.950 nan 8.950 1
1 680 . 1 1 1 B 71 71 GLU HA H 71 4.460 nan 4.460 1
1 685 . 1 1 1 B 71 71 GLU CA C 71 58.010 57.440 0.570 1
1 686 . 1 1 1 B 71 71 GLU CB C 71 31.120 30.545 0.575 1
1 688 . 1 1 1 B 71 71 GLU N N 71 128.050 127.003 1.047 1
1 689 . 1 1 1 B 72 72 GLN H H 72 9.160 nan 9.160 1
1 690 . 1 1 1 B 72 72 GLN HA H 72 4.770 nan 4.770 1
1 697 . 1 1 1 B 72 72 GLN CA C 72 55.510 54.672 0.838 1
1 698 . 1 1 1 B 72 72 GLN CB C 72 33.580 32.525 1.055 1
1 700 . 1 1 1 B 72 72 GLN N N 72 122.770 120.140 2.630 1
1 702 . 1 1 1 B 73 73 ARG H H 73 8.810 nan 8.810 1
1 703 . 1 1 1 B 73 73 ARG HA H 73 5.240 nan 5.240 1
1 710 . 1 1 1 B 73 73 ARG CA C 73 54.990 54.324 0.666 1
1 711 . 1 1 1 B 73 73 ARG CB C 73 32.960 32.630 0.330 1
1 714 . 1 1 1 B 73 73 ARG N N 73 125.420 123.188 2.232 1
1 715 . 1 1 1 B 74 74 GLU H H 74 8.350 nan 8.350 1
1 716 . 1 1 1 B 74 74 GLU CA C 74 54.260 55.321 -1.061 1
1 717 . 1 1 1 B 74 74 GLU CB C 74 29.880 30.308 -0.428 1
1 718 . 1 1 1 B 74 74 GLU N N 74 120.940 121.789 -0.849 1
1 719 . 1 1 1 B 75 75 ALA H H 75 8.620 nan 8.620 1
1 720 . 1 1 1 B 75 75 ALA HA H 75 4.540 nan 4.540 1
1 724 . 1 1 1 B 75 75 ALA CA C 75 52.320 53.615 -1.295 1
1 725 . 1 1 1 B 75 75 ALA CB C 75 19.880 19.682 0.198 1
1 726 . 1 1 1 B 75 75 ALA N N 75 125.070 123.393 1.677 1
1 727 . 1 1 1 B 76 76 VAL H H 76 7.150 nan 7.150 1
1 728 . 1 1 1 B 76 76 VAL HA H 76 3.980 nan 3.980 1
1 736 . 1 1 1 B 76 76 VAL CA C 76 61.790 59.151 2.639 1
1 737 . 1 1 1 B 76 76 VAL CB C 76 33.200 35.604 -2.404 1
1 740 . 1 1 1 B 76 76 VAL N N 76 115.440 112.362 3.078 1
1 741 . 1 1 1 B 77 77 PHE H H 77 8.510 nan 8.510 1
1 742 . 1 1 1 B 77 77 PHE HA H 77 4.480 nan 4.480 1
1 749 . 1 1 1 B 77 77 PHE CA C 77 57.940 56.537 1.403 1
1 750 . 1 1 1 B 77 77 PHE CB C 77 37.090 39.419 -2.329 1
1 751 . 1 1 1 B 77 77 PHE N N 77 122.210 123.262 -1.052 1
1 752 . 1 1 1 B 78 78 PRO HA H 78 4.730 nan 4.730 1
1 759 . 1 1 1 B 78 78 PRO CA C 78 62.400 62.583 -0.183 1
1 760 . 1 1 1 B 78 78 PRO CB C 78 30.300 29.362 0.938 1
1 763 . 1 1 1 B 79 79 PHE H H 79 6.280 nan 6.280 1
1 764 . 1 1 1 B 79 79 PHE HA H 79 4.730 nan 4.730 1
1 771 . 1 1 1 B 79 79 PHE CA C 79 57.060 56.182 0.878 1
1 772 . 1 1 1 B 79 79 PHE CB C 79 42.890 44.230 -1.340 1
1 777 . 1 1 1 B 79 79 PHE N N 79 114.960 121.473 -6.513 1
1 778 . 1 1 1 B 80 80 GLN H H 80 9.160 nan 9.160 1
1 779 . 1 1 1 B 80 80 GLN HA H 80 5.210 nan 5.210 1
1 786 . 1 1 1 B 80 80 GLN CA C 80 53.010 54.061 -1.051 1
1 787 . 1 1 1 B 80 80 GLN CB C 80 31.340 31.652 -0.312 1
1 789 . 1 1 1 B 80 80 GLN N N 80 120.580 118.424 2.156 1
1 791 . 1 1 1 B 81 81 PRO HA H 81 3.980 nan 3.980 1
1 798 . 1 1 1 B 81 81 PRO CA C 81 63.740 63.406 0.334 1
1 799 . 1 1 1 B 81 81 PRO CB C 81 32.180 31.742 0.438 1
1 802 . 1 1 1 B 82 82 GLY H H 82 7.250 nan 7.250 1
1 803 . 1 1 1 B 82 82 GLY HA2 H 82 4.100 3.885 0.215 1
1 804 . 1 1 1 B 82 82 GLY HA3 H 82 3.710 3.885 -0.175 1
1 805 . 1 1 1 B 82 82 GLY CA C 82 46.450 46.838 -0.388 1
1 806 . 1 1 1 B 82 82 GLY N N 82 112.600 112.315 0.285 1
1 807 . 1 1 1 B 83 83 SER H H 83 7.560 nan 7.560 1
1 808 . 1 1 1 B 83 83 SER HA H 83 4.910 nan 4.910 1
1 811 . 1 1 1 B 83 83 SER CA C 83 57.550 56.974 0.576 1
1 812 . 1 1 1 B 83 83 SER CB C 83 66.500 65.881 0.619 1
1 813 . 1 1 1 B 83 83 SER N N 83 113.130 111.482 1.648 1
1 814 . 1 1 1 B 84 84 VAL H H 84 8.470 nan 8.470 1
1 815 . 1 1 1 B 84 84 VAL HA H 84 4.700 nan 4.700 1
1 823 . 1 1 1 B 84 84 VAL CA C 84 63.010 61.622 1.388 1
1 824 . 1 1 1 B 84 84 VAL CB C 84 31.130 32.708 -1.578 1
1 825 . 1 1 1 B 84 84 VAL N N 84 122.280 121.472 0.808 1
1 826 . 1 1 1 B 85 85 ALA H H 85 9.190 nan 9.190 1
1 827 . 1 1 1 B 85 85 ALA HA H 85 4.900 nan 4.900 1
1 831 . 1 1 1 B 85 85 ALA CA C 85 51.350 50.600 0.750 1
1 832 . 1 1 1 B 85 85 ALA CB C 85 23.790 23.052 0.738 1
1 833 . 1 1 1 B 85 85 ALA N N 85 128.340 129.042 -0.702 1
1 834 . 1 1 1 B 86 86 GLU H H 86 7.980 nan 7.980 1
1 835 . 1 1 1 B 86 86 GLU HA H 86 5.650 nan 5.650 1
1 840 . 1 1 1 B 86 86 GLU CA C 86 54.880 54.921 -0.041 1
1 841 . 1 1 1 B 86 86 GLU CB C 86 34.060 33.453 0.607 1
1 843 . 1 1 1 B 86 86 GLU N N 86 121.850 122.605 -0.755 1
1 844 . 1 1 1 B 87 87 VAL H H 87 8.900 nan 8.900 1
1 845 . 1 1 1 B 87 87 VAL HA H 87 4.650 nan 4.650 1
1 853 . 1 1 1 B 87 87 VAL CA C 87 60.250 59.545 0.705 1
1 854 . 1 1 1 B 87 87 VAL CB C 87 35.460 35.235 0.225 1
1 857 . 1 1 1 B 87 87 VAL N N 87 123.000 119.743 3.257 1
1 858 . 1 1 1 B 88 88 CYS H H 88 8.230 nan 8.230 1
1 859 . 1 1 1 B 88 88 CYS HA H 88 5.580 nan 5.580 1
1 862 . 1 1 1 B 88 88 CYS CA C 88 56.560 56.956 -0.396 1
1 863 . 1 1 1 B 88 88 CYS CB C 88 29.810 29.702 0.108 1
1 864 . 1 1 1 B 88 88 CYS N N 88 122.950 121.415 1.535 1
1 865 . 1 1 1 B 89 89 ILE H H 89 9.550 nan 9.550 1
1 866 . 1 1 1 B 89 89 ILE HA H 89 4.960 nan 4.960 1
1 876 . 1 1 1 B 89 89 ILE CA C 89 60.530 60.114 0.416 1
1 877 . 1 1 1 B 89 89 ILE CB C 89 41.900 40.927 0.973 1
1 881 . 1 1 1 B 89 89 ILE N N 89 127.660 126.174 1.486 1
1 882 . 1 1 1 B 90 90 THR H H 90 8.840 nan 8.840 1
1 883 . 1 1 1 B 90 90 THR HA H 90 4.850 nan 4.850 1
1 888 . 1 1 1 B 90 90 THR CA C 90 61.040 60.195 0.845 1
1 889 . 1 1 1 B 90 90 THR CB C 90 71.320 70.479 0.841 1
1 891 . 1 1 1 B 90 90 THR N N 90 120.940 120.285 0.655 1
1 892 . 1 1 1 B 91 91 PHE H H 91 9.090 nan 9.090 1
1 893 . 1 1 1 B 91 91 PHE HA H 91 5.350 nan 5.350 1
1 900 . 1 1 1 B 91 91 PHE CA C 91 56.550 56.029 0.521 1
1 901 . 1 1 1 B 91 91 PHE CB C 91 42.490 41.413 1.077 1
1 902 . 1 1 1 B 91 91 PHE N N 91 123.210 119.512 3.698 1
1 903 . 1 1 1 B 92 92 ASP H H 92 8.130 nan 8.130 1
1 904 . 1 1 1 B 92 92 ASP HA H 92 4.150 nan 4.150 1
1 906 . 1 1 1 B 92 92 ASP CA C 92 52.890 52.618 0.272 1
1 907 . 1 1 1 B 92 92 ASP CB C 92 43.130 42.675 0.455 1
1 908 . 1 1 1 B 92 92 ASP N N 92 122.260 118.931 3.329 1
1 909 . 1 1 1 B 93 93 GLN H H 93 8.440 nan 8.440 1
1 910 . 1 1 1 B 93 93 GLN HA H 93 3.930 nan 3.930 1
1 917 . 1 1 1 B 93 93 GLN CA C 93 59.310 58.433 0.877 1
1 918 . 1 1 1 B 93 93 GLN CB C 93 28.840 28.176 0.664 1
1 920 . 1 1 1 B 93 93 GLN N N 93 114.980 117.252 -2.272 1
1 921 . 1 1 1 B 94 94 ALA H H 94 8.560 nan 8.560 1
1 922 . 1 1 1 B 94 94 ALA HA H 94 4.600 nan 4.600 1
1 926 . 1 1 1 B 94 94 ALA CA C 94 53.760 53.826 -0.066 1
1 927 . 1 1 1 B 94 94 ALA CB C 94 21.240 20.020 1.220 1
1 928 . 1 1 1 B 94 94 ALA N N 94 119.390 120.843 -1.453 1
1 929 . 1 1 1 B 95 95 ASN H H 95 8.560 nan 8.560 1
1 930 . 1 1 1 B 95 95 ASN HA H 95 5.210 nan 5.210 1
1 935 . 1 1 1 B 95 95 ASN CA C 95 53.270 51.962 1.308 1
1 936 . 1 1 1 B 95 95 ASN CB C 95 44.150 43.513 0.637 1
1 937 . 1 1 1 B 95 95 ASN N N 95 116.780 114.371 2.409 1
1 939 . 1 1 1 B 96 96 LEU H H 96 9.800 nan 9.800 1
1 940 . 1 1 1 B 96 96 LEU HA H 96 5.080 nan 5.080 1
1 950 . 1 1 1 B 96 96 LEU CA C 96 56.750 53.416 3.334 1
1 951 . 1 1 1 B 96 96 LEU CB C 96 42.770 44.560 -1.790 1
1 955 . 1 1 1 B 96 96 LEU N N 96 122.220 121.836 0.384 1
1 956 . 1 1 1 B 97 97 THR H H 97 8.980 nan 8.980 1
1 957 . 1 1 1 B 97 97 THR HA H 97 4.710 nan 4.710 1
1 962 . 1 1 1 B 97 97 THR CA C 97 63.870 61.771 2.099 1
1 963 . 1 1 1 B 97 97 THR CB C 97 69.700 70.188 -0.488 1
1 965 . 1 1 1 B 97 97 THR N N 97 119.080 118.158 0.922 1
1 966 . 1 1 1 B 98 98 VAL H H 98 8.740 nan 8.740 1
1 967 . 1 1 1 B 98 98 VAL HA H 98 4.220 nan 4.220 1
1 975 . 1 1 1 B 98 98 VAL CA C 98 60.940 60.809 0.131 1
1 976 . 1 1 1 B 98 98 VAL CB C 98 31.890 33.806 -1.916 1
1 979 . 1 1 1 B 98 98 VAL N N 98 128.990 127.291 1.699 1
1 980 . 1 1 1 B 99 99 LYS H H 99 9.020 nan 9.020 1
1 981 . 1 1 1 B 99 99 LYS HA H 99 4.910 nan 4.910 1
1 990 . 1 1 1 B 99 99 LYS CA C 99 55.240 54.585 0.655 1
1 991 . 1 1 1 B 99 99 LYS CB C 99 34.820 35.349 -0.529 1
1 995 . 1 1 1 B 99 99 LYS N N 99 126.680 128.920 -2.240 1
1 996 . 1 1 1 B 100 100 LEU H H 100 9.070 nan 9.070 1
1 997 . 1 1 1 B 100 100 LEU HA H 100 4.680 nan 4.680 1
1 998 . 1 1 1 B 100 100 LEU CA C 100 53.000 52.930 0.070 1
1 999 . 1 1 1 B 100 100 LEU CB C 100 40.510 42.604 -2.094 1
1 1000 . 1 1 1 B 100 100 LEU N N 100 125.810 127.017 -1.207 1
1 1001 . 1 1 1 B 101 101 PRO HA H 101 4.490 nan 4.490 1
1 1008 . 1 1 1 B 101 101 PRO CA C 101 65.030 65.489 -0.459 1
1 1009 . 1 1 1 B 101 101 PRO CB C 101 32.570 31.372 1.198 1
1 1012 . 1 1 1 B 102 102 ASP H H 102 8.150 nan 8.150 1
1 1013 . 1 1 1 B 102 102 ASP HA H 102 4.390 nan 4.390 1
1 1016 . 1 1 1 B 102 102 ASP CA C 102 54.680 53.218 1.462 1
1 1017 . 1 1 1 B 102 102 ASP CB C 102 40.310 39.937 0.373 1
1 1018 . 1 1 1 B 102 102 ASP N N 102 114.140 113.604 0.536 1
1 1019 . 1 1 1 B 103 103 GLY H H 103 8.280 nan 8.280 1
1 1020 . 1 1 1 B 103 103 GLY HA2 H 103 4.240 3.971 0.269 1
1 1021 . 1 1 1 B 103 103 GLY HA3 H 103 3.500 3.971 -0.471 1
1 1022 . 1 1 1 B 103 103 GLY CA C 103 45.500 45.660 -0.160 1
1 1023 . 1 1 1 B 103 103 GLY N N 103 107.710 108.787 -1.077 1
1 1024 . 1 1 1 B 104 104 TYR HA H 104 4.600 nan 4.600 1
1 1029 . 1 1 1 B 104 104 TYR CA C 104 55.980 58.455 -2.475 1
1 1030 . 1 1 1 B 104 104 TYR CB C 104 43.210 39.252 3.958 1
1 1033 . 1 1 1 B 105 105 GLU H H 105 9.040 nan 9.040 1
1 1034 . 1 1 1 B 105 105 GLU HA H 105 5.600 nan 5.600 1
1 1039 . 1 1 1 B 105 105 GLU CA C 105 54.260 54.312 -0.052 1
1 1040 . 1 1 1 B 105 105 GLU CB C 105 34.050 33.364 0.686 1
1 1042 . 1 1 1 B 105 105 GLU N N 105 127.330 124.505 2.825 1
1 1043 . 1 1 1 B 106 106 PHE H H 106 8.510 nan 8.510 1
1 1044 . 1 1 1 B 106 106 PHE HA H 106 5.000 nan 5.000 1
1 1051 . 1 1 1 B 106 106 PHE CA C 106 55.700 55.570 0.130 1
1 1052 . 1 1 1 B 106 106 PHE CB C 106 42.510 42.371 0.139 1
1 1053 . 1 1 1 B 106 106 PHE N N 106 117.860 117.335 0.525 1
1 1054 . 1 1 1 B 107 107 LYS H H 107 8.640 nan 8.640 1
1 1055 . 1 1 1 B 107 107 LYS HA H 107 5.470 nan 5.470 1
1 1064 . 1 1 1 B 107 107 LYS CA C 107 54.460 54.573 -0.113 1
1 1065 . 1 1 1 B 107 107 LYS CB C 107 35.970 35.902 0.068 1
1 1069 . 1 1 1 B 107 107 LYS N N 107 118.840 119.442 -0.602 1
1 1070 . 1 1 1 B 108 108 PHE H H 108 9.150 nan 9.150 1
1 1071 . 1 1 1 B 108 108 PHE HA H 108 5.380 nan 5.380 1
1 1078 . 1 1 1 B 108 108 PHE CA C 108 54.760 56.049 -1.289 1
1 1079 . 1 1 1 B 108 108 PHE CB C 108 44.180 43.983 0.197 1
1 1080 . 1 1 1 B 108 108 PHE N N 108 125.050 124.020 1.030 1
1 1081 . 1 1 1 B 109 109 PRO HA H 109 4.780 nan 4.780 1
1 1088 . 1 1 1 B 109 109 PRO CA C 109 63.120 62.903 0.217 1
1 1089 . 1 1 1 B 109 109 PRO CB C 109 32.160 31.949 0.211 1
1 1092 . 1 1 1 B 110 110 ASN H H 110 8.150 nan 8.150 1
1 1093 . 1 1 1 B 110 110 ASN HA H 110 4.690 nan 4.690 1
1 1098 . 1 1 1 B 110 110 ASN CA C 110 51.510 51.832 -0.322 1
1 1099 . 1 1 1 B 110 110 ASN CB C 110 35.510 37.770 -2.260 1
1 1100 . 1 1 1 B 110 110 ASN N N 110 118.740 120.965 -2.225 1
1 1102 . 1 1 1 B 111 111 ARG H H 111 8.540 nan 8.540 1
1 1103 . 1 1 1 B 111 111 ARG HA H 111 4.110 nan 4.110 1
1 1104 . 1 1 1 B 111 111 ARG CA C 111 59.260 57.788 1.472 1
1 1105 . 1 1 1 B 111 111 ARG CB C 111 29.890 30.023 -0.133 1
1 1106 . 1 1 1 B 111 111 ARG N N 111 124.010 125.749 -1.739 1
1 1107 . 1 1 1 B 112 112 LEU H H 112 8.520 nan 8.520 1
1 1108 . 1 1 1 B 112 112 LEU HA H 112 4.380 nan 4.380 1
1 1114 . 1 1 1 B 112 112 LEU CA C 112 55.560 54.538 1.022 1
1 1115 . 1 1 1 B 112 112 LEU CB C 112 43.000 42.350 0.650 1
1 1117 . 1 1 1 B 112 112 LEU N N 112 118.260 117.563 0.697 1
1 1118 . 1 1 1 B 113 113 ASN H H 113 7.920 nan 7.920 1
1 1119 . 1 1 1 B 113 113 ASN HA H 113 4.370 nan 4.370 1
1 1124 . 1 1 1 B 113 113 ASN CA C 113 54.240 54.305 -0.065 1
1 1125 . 1 1 1 B 113 113 ASN CB C 113 37.650 36.969 0.681 1
1 1126 . 1 1 1 B 113 113 ASN N N 113 116.110 115.905 0.205 1
1 1128 . 1 1 1 B 114 114 LEU H H 114 7.710 nan 7.710 1
1 1129 . 1 1 1 B 114 114 LEU HA H 114 4.250 nan 4.250 1
1 1132 . 1 1 1 B 114 114 LEU CA C 114 56.130 55.551 0.579 1
1 1133 . 1 1 1 B 114 114 LEU CB C 114 42.180 42.119 0.061 1
1 1134 . 1 1 1 B 114 114 LEU N N 114 116.050 120.159 -4.109 1
1 1135 . 1 1 1 B 115 115 GLU H H 115 9.030 nan 9.030 1
1 1136 . 1 1 1 B 115 115 GLU HA H 115 4.370 nan 4.370 1
1 1141 . 1 1 1 B 115 115 GLU CA C 115 56.760 56.599 0.161 1
1 1142 . 1 1 1 B 115 115 GLU CB C 115 30.920 30.642 0.278 1
1 1144 . 1 1 1 B 115 115 GLU N N 115 120.100 123.383 -3.283 1
1 1145 . 1 1 1 B 116 116 ALA H H 116 7.410 nan 7.410 1
1 1146 . 1 1 1 B 116 116 ALA HA H 116 5.040 nan 5.040 1
1 1150 . 1 1 1 B 116 116 ALA CA C 116 51.520 51.818 -0.298 1
1 1151 . 1 1 1 B 116 116 ALA CB C 116 22.100 23.066 -0.966 1
1 1152 . 1 1 1 B 116 116 ALA N N 116 118.920 119.571 -0.651 1
1 1153 . 1 1 1 B 117 117 ILE H H 117 8.800 nan 8.800 1
1 1154 . 1 1 1 B 117 117 ILE HA H 117 3.850 nan 3.850 1
1 1164 . 1 1 1 B 117 117 ILE CA C 117 61.850 60.328 1.522 1
1 1165 . 1 1 1 B 117 117 ILE CB C 117 39.470 39.645 -0.175 1
1 1169 . 1 1 1 B 117 117 ILE N N 117 120.730 121.301 -0.571 1
1 1170 . 1 1 1 B 118 118 ASN H H 118 7.780 nan 7.780 1
1 1171 . 1 1 1 B 118 118 ASN HA H 118 5.280 nan 5.280 1
1 1176 . 1 1 1 B 118 118 ASN CA C 118 54.110 53.440 0.670 1
1 1177 . 1 1 1 B 118 118 ASN CB C 118 43.510 40.379 3.131 1
1 1178 . 1 1 1 B 118 118 ASN N N 118 123.990 125.780 -1.790 1
1 1180 . 1 1 1 B 119 119 TYR H H 119 8.280 nan 8.280 1
1 1181 . 1 1 1 B 119 119 TYR HA H 119 5.350 nan 5.350 1
1 1186 . 1 1 1 B 119 119 TYR CA C 119 57.170 56.734 0.436 1
1 1187 . 1 1 1 B 119 119 TYR CB C 119 42.430 42.009 0.421 1
1 1190 . 1 1 1 B 119 119 TYR N N 119 123.170 120.953 2.217 1
1 1191 . 1 1 1 B 120 120 MET H H 120 8.590 nan 8.590 1
1 1192 . 1 1 1 B 120 120 MET HA H 120 5.360 nan 5.360 1
1 1197 . 1 1 1 B 120 120 MET CA C 120 53.790 53.941 -0.151 1
1 1198 . 1 1 1 B 120 120 MET CB C 120 37.780 35.837 1.943 1
1 1200 . 1 1 1 B 120 120 MET N N 120 126.990 127.229 -0.239 1
1 1201 . 1 1 1 B 121 121 ALA H H 121 8.940 nan 8.940 1
1 1202 . 1 1 1 B 121 121 ALA HA H 121 5.340 nan 5.340 1
1 1206 . 1 1 1 B 121 121 ALA CA C 121 51.170 51.365 -0.195 1
1 1207 . 1 1 1 B 121 121 ALA CB C 121 24.350 22.922 1.428 1
1 1208 . 1 1 1 B 121 121 ALA N N 121 125.300 125.488 -0.188 1
1 1209 . 1 1 1 B 122 122 ALA H H 122 8.690 nan 8.690 1
1 1210 . 1 1 1 B 122 122 ALA HA H 122 5.670 nan 5.670 1
1 1214 . 1 1 1 B 122 122 ALA CA C 122 50.040 50.073 -0.033 1
1 1215 . 1 1 1 B 122 122 ALA CB C 122 23.250 22.607 0.643 1
1 1216 . 1 1 1 B 122 122 ALA N N 122 124.570 123.146 1.424 1
1 1217 . 1 1 1 B 123 123 ASP H H 123 9.010 nan 9.010 1
1 1218 . 1 1 1 B 123 123 ASP HA H 123 5.210 nan 5.210 1
1 1221 . 1 1 1 B 123 123 ASP CA C 123 52.810 52.446 0.364 1
1 1222 . 1 1 1 B 123 123 ASP CB C 123 45.740 41.397 4.343 1
1 1223 . 1 1 1 B 123 123 ASP N N 123 119.260 119.754 -0.494 1
1 1224 . 1 1 1 B 124 124 GLY H H 124 8.580 nan 8.580 1
1 1225 . 1 1 1 B 124 124 GLY HA2 H 124 4.540 3.869 0.671 1
1 1226 . 1 1 1 B 124 124 GLY HA3 H 124 4.030 3.869 0.161 1
1 1227 . 1 1 1 B 124 124 GLY CA C 124 46.100 46.664 -0.564 1
1 1228 . 1 1 1 B 124 124 GLY N N 124 108.300 107.313 0.987 1
1 1229 . 1 1 1 B 125 125 ASP H H 125 8.770 nan 8.770 1
1 1230 . 1 1 1 B 125 125 ASP HA H 125 4.820 nan 4.820 1
1 1233 . 1 1 1 B 125 125 ASP CA C 125 55.770 54.403 1.367 1
1 1234 . 1 1 1 B 125 125 ASP CB C 125 41.130 42.288 -1.158 1
1 1235 . 1 1 1 B 125 125 ASP N N 125 123.790 118.165 5.625 1
1 1236 . 1 1 1 B 126 126 PHE H H 126 8.120 nan 8.120 1
1 1237 . 1 1 1 B 126 126 PHE HA H 126 4.990 nan 4.990 1
1 1245 . 1 1 1 B 126 126 PHE CA C 126 56.050 56.319 -0.269 1
1 1246 . 1 1 1 B 126 126 PHE CB C 126 43.600 40.921 2.679 1
1 1249 . 1 1 1 B 126 126 PHE N N 126 123.140 121.033 2.107 1
1 1250 . 1 1 1 B 127 127 LYS H H 127 8.150 nan 8.150 1
1 1251 . 1 1 1 B 127 127 LYS HA H 127 4.460 nan 4.460 1
1 1260 . 1 1 1 B 127 127 LYS CA C 127 54.880 55.829 -0.949 1
1 1261 . 1 1 1 B 127 127 LYS CB C 127 34.680 33.249 1.431 1
1 1265 . 1 1 1 B 127 127 LYS N N 127 128.250 127.955 0.295 1
1 1266 . 1 1 1 B 128 128 ILE H H 128 8.540 nan 8.540 1
1 1267 . 1 1 1 B 128 128 ILE HA H 128 3.340 nan 3.340 1
1 1277 . 1 1 1 B 128 128 ILE CA C 128 63.150 61.957 1.193 1
1 1278 . 1 1 1 B 128 128 ILE CB C 128 37.290 37.711 -0.421 1
1 1282 . 1 1 1 B 128 128 ILE N N 128 127.360 127.838 -0.478 1
1 1283 . 1 1 1 B 129 129 LYS H H 129 9.250 nan 9.250 1
1 1284 . 1 1 1 B 129 129 LYS CA C 129 55.510 56.167 -0.657 1
1 1285 . 1 1 1 B 129 129 LYS CB C 129 32.330 34.318 -1.988 1
1 1286 . 1 1 1 B 129 129 LYS N N 129 124.620 126.701 -2.081 1
1 1287 . 1 1 1 B 130 130 CYS H H 130 8.240 nan 8.240 1
1 1288 . 1 1 1 B 130 130 CYS HA H 130 5.230 nan 5.230 1
1 1291 . 1 1 1 B 130 130 CYS CA C 130 58.630 57.842 0.788 1
1 1292 . 1 1 1 B 130 130 CYS CB C 130 29.680 30.640 -0.960 1
1 1293 . 1 1 1 B 130 130 CYS N N 130 119.340 115.444 3.896 1
1 1294 . 1 1 1 B 131 131 VAL H H 131 8.980 nan 8.980 1
1 1295 . 1 1 1 B 131 131 VAL HA H 131 4.720 nan 4.720 1
1 1303 . 1 1 1 B 131 131 VAL CA C 131 61.320 60.409 0.911 1
1 1304 . 1 1 1 B 131 131 VAL CB C 131 34.550 35.013 -0.463 1
1 1307 . 1 1 1 B 131 131 VAL N N 131 127.500 124.377 3.123 1
1 1308 . 1 1 1 B 132 132 ALA H H 132 9.060 nan 9.060 1
1 1309 . 1 1 1 B 132 132 ALA HA H 132 4.980 nan 4.980 1
1 1313 . 1 1 1 B 132 132 ALA CA C 132 50.370 50.312 0.058 1
1 1314 . 1 1 1 B 132 132 ALA CB C 132 21.930 23.408 -1.478 1
1 1315 . 1 1 1 B 132 132 ALA N N 132 128.490 128.550 -0.060 1
1 1316 . 1 1 1 B 133 133 PHE H H 133 8.340 nan 8.340 1
1 1317 . 1 1 1 B 133 133 PHE HA H 133 5.180 nan 5.180 1
1 1325 . 1 1 1 B 133 133 PHE CA C 133 55.960 56.667 -0.707 1
1 1326 . 1 1 1 B 133 133 PHE CB C 133 40.100 40.930 -0.830 1
1 1327 . 1 1 1 B 133 133 PHE N N 133 120.310 119.029 1.281 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 132 0.974 1
3 1 1 1 "RMS(OBS, PRED)" CB 121 1.511 1
4 1 1 1 "RMS(OBS, PRED)" H 124 nan 1
5 1 1 1 "RMS(OBS, PRED)" HA 141 nan 1
6 1 1 1 "RMS(OBS, PRED)" N 124 2.505 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 B 2 2 CYS H H 2 8.520 0.000 8.520 2
1 10 . 1 1 B 2 2 CYS HA H 2 4.720 0.000 4.720 2
1 13 . 1 1 B 2 2 CYS CA C 2 59.420 58.348 1.072 2
1 14 . 1 1 B 2 2 CYS CB C 2 26.750 29.430 -2.680 2
1 15 . 1 1 B 2 2 CYS N N 2 119.110 115.303 3.807 2
1 16 . 1 1 B 3 3 GLY H H 3 8.250 0.000 8.250 2
1 17 . 1 1 B 3 3 GLY HA2 H 3 4.450 4.018 0.432 2
1 18 . 1 1 B 3 3 GLY HA3 H 3 4.000 4.018 -0.018 2
1 19 . 1 1 B 3 3 GLY CA C 3 45.010 44.116 0.894 2
1 20 . 1 1 B 3 3 GLY N N 3 112.420 109.464 2.956 2
1 21 . 1 1 B 4 4 LEU H H 4 7.700 0.000 7.700 2
1 22 . 1 1 B 4 4 LEU HA H 4 4.280 0.000 4.280 2
1 32 . 1 1 B 4 4 LEU CA C 4 56.750 56.008 0.742 2
1 33 . 1 1 B 4 4 LEU CB C 4 44.050 42.748 1.302 2
1 37 . 1 1 B 4 4 LEU N N 4 121.730 122.345 -0.615 2
1 38 . 1 1 B 5 5 VAL H H 5 8.020 0.000 8.020 2
1 39 . 1 1 B 5 5 VAL HA H 5 4.720 0.000 4.720 2
1 47 . 1 1 B 5 5 VAL CA C 5 62.380 60.909 1.471 2
1 48 . 1 1 B 5 5 VAL CB C 5 34.260 34.513 -0.253 2
1 51 . 1 1 B 5 5 VAL N N 5 123.520 127.174 -3.654 2
1 52 . 1 1 B 6 6 ALA H H 6 9.580 0.000 9.580 2
1 53 . 1 1 B 6 6 ALA HA H 6 5.670 0.000 5.670 2
1 57 . 1 1 B 6 6 ALA CA C 6 50.510 50.186 0.324 2
1 58 . 1 1 B 6 6 ALA CB C 6 19.880 22.013 -2.133 2
1 59 . 1 1 B 6 6 ALA N N 6 129.910 129.644 0.266 2
1 60 . 1 1 B 7 7 SER H H 7 9.340 0.000 9.340 2
1 61 . 1 1 B 7 7 SER HA H 7 5.660 0.000 5.660 2
1 64 . 1 1 B 7 7 SER CA C 7 56.930 56.064 0.866 2
1 65 . 1 1 B 7 7 SER CB C 7 66.100 66.354 -0.254 2
1 66 . 1 1 B 7 7 SER N N 7 114.770 114.754 0.016 2
1 67 . 1 1 B 8 8 ASN H H 8 8.320 0.000 8.320 2
1 68 . 1 1 B 8 8 ASN HA H 8 4.490 0.000 4.490 2
1 73 . 1 1 B 8 8 ASN CA C 8 54.540 54.393 0.147 2
1 74 . 1 1 B 8 8 ASN CB C 8 37.070 36.317 0.753 2
1 75 . 1 1 B 8 8 ASN N N 8 115.440 116.054 -0.614 2
1 77 . 1 1 B 9 9 LEU H H 9 7.970 0.000 7.970 2
1 78 . 1 1 B 9 9 LEU HA H 9 3.730 0.000 3.730 2
1 88 . 1 1 B 9 9 LEU CA C 9 57.890 57.672 0.218 2
1 89 . 1 1 B 9 9 LEU CB C 9 42.440 41.821 0.619 2
1 93 . 1 1 B 9 9 LEU N N 9 115.170 119.803 -4.633 2
1 94 . 1 1 B 10 10 ASN H H 10 8.580 0.000 8.580 2
1 95 . 1 1 B 10 10 ASN HA H 10 4.130 0.000 4.130 2
1 100 . 1 1 B 10 10 ASN CA C 10 53.580 54.212 -0.632 2
1 101 . 1 1 B 10 10 ASN CB C 10 38.400 37.206 1.194 2
1 102 . 1 1 B 10 10 ASN N N 10 114.720 117.605 -2.885 2
1 104 . 1 1 B 11 11 LEU H H 11 8.080 0.000 8.080 2
1 105 . 1 1 B 11 11 LEU HA H 11 4.460 0.000 4.460 2
1 115 . 1 1 B 11 11 LEU CA C 11 55.880 55.480 0.400 2
1 116 . 1 1 B 11 11 LEU CB C 11 43.990 43.169 0.821 2
1 120 . 1 1 B 11 11 LEU N N 11 120.450 120.935 -0.485 2
1 121 . 1 1 B 12 12 LYS H H 12 8.510 0.000 8.510 2
1 122 . 1 1 B 12 12 LYS HA H 12 4.950 0.000 4.950 2
1 123 . 1 1 B 12 12 LYS CA C 12 53.600 53.390 0.210 2
1 124 . 1 1 B 12 12 LYS CB C 12 34.000 33.083 0.917 2
1 125 . 1 1 B 12 12 LYS N N 12 127.390 126.245 1.145 2
1 126 . 1 1 B 13 13 PRO HA H 13 3.490 0.000 3.490 2
1 133 . 1 1 B 13 13 PRO CA C 13 64.280 63.337 0.943 2
1 134 . 1 1 B 13 13 PRO CB C 13 31.840 30.898 0.942 2
1 137 . 1 1 B 14 14 GLY H H 14 8.780 0.000 8.780 2
1 138 . 1 1 B 14 14 GLY HA2 H 14 4.340 3.891 0.449 2
1 139 . 1 1 B 14 14 GLY HA3 H 14 3.590 3.891 -0.301 2
1 140 . 1 1 B 14 14 GLY CA C 14 45.180 45.012 0.168 2
1 141 . 1 1 B 14 14 GLY N N 14 113.870 112.592 1.278 2
1 142 . 1 1 B 15 15 GLU H H 15 8.020 0.000 8.020 2
1 143 . 1 1 B 15 15 GLU HA H 15 4.560 0.000 4.560 2
1 148 . 1 1 B 15 15 GLU CA C 15 56.760 56.934 -0.174 2
1 149 . 1 1 B 15 15 GLU CB C 15 33.740 30.750 2.990 2
1 151 . 1 1 B 15 15 GLU N N 15 121.190 120.667 0.523 2
1 152 . 1 1 B 16 16 CYS H H 16 8.720 0.000 8.720 2
1 153 . 1 1 B 16 16 CYS HA H 16 5.190 0.000 5.190 2
1 156 . 1 1 B 16 16 CYS CA C 16 57.040 56.980 0.060 2
1 157 . 1 1 B 16 16 CYS CB C 16 30.350 30.070 0.280 2
1 158 . 1 1 B 16 16 CYS N N 16 120.400 122.543 -2.143 2
1 159 . 1 1 B 17 17 LEU H H 17 8.930 0.000 8.930 2
1 160 . 1 1 B 17 17 LEU HA H 17 4.930 0.000 4.930 2
1 167 . 1 1 B 17 17 LEU CA C 17 53.630 53.886 -0.256 2
1 168 . 1 1 B 17 17 LEU CB C 17 45.290 43.523 1.767 2
1 170 . 1 1 B 17 17 LEU N N 17 128.320 129.906 -1.586 2
1 171 . 1 1 B 18 18 ARG H H 18 9.150 0.000 9.150 2
1 172 . 1 1 B 18 18 ARG HA H 18 5.140 0.000 5.140 2
1 179 . 1 1 B 18 18 ARG CA C 18 54.960 54.379 0.581 2
1 180 . 1 1 B 18 18 ARG CB C 18 33.020 32.151 0.869 2
1 183 . 1 1 B 18 18 ARG N N 18 127.230 126.533 0.697 2
1 184 . 1 1 B 19 19 VAL H H 19 8.860 0.000 8.860 2
1 185 . 1 1 B 19 19 VAL HA H 19 4.800 0.000 4.800 2
1 193 . 1 1 B 19 19 VAL CA C 19 61.190 61.190 0.000 2
1 194 . 1 1 B 19 19 VAL CB C 19 32.950 34.583 -1.633 2
1 197 . 1 1 B 19 19 VAL N N 19 123.820 124.202 -0.382 2
1 198 . 1 1 B 20 20 ARG H H 20 9.050 0.000 9.050 2
1 199 . 1 1 B 20 20 ARG HA H 20 5.630 0.000 5.630 2
1 206 . 1 1 B 20 20 ARG CA C 20 54.260 54.317 -0.057 2
1 207 . 1 1 B 20 20 ARG CB C 20 28.420 33.361 -4.941 2
1 210 . 1 1 B 20 20 ARG N N 20 127.330 129.038 -1.708 2
1 211 . 1 1 B 21 21 GLY H H 21 9.130 0.000 9.130 2
1 212 . 1 1 B 21 21 GLY HA2 H 21 4.240 4.365 -0.125 2
1 213 . 1 1 B 21 21 GLY HA3 H 21 2.720 4.365 -1.645 2
1 214 . 1 1 B 21 21 GLY CA C 21 45.980 44.746 1.234 2
1 215 . 1 1 B 21 21 GLY N N 21 114.500 111.894 2.606 2
1 216 . 1 1 B 22 22 GLU H H 22 8.380 0.000 8.380 2
1 217 . 1 1 B 22 22 GLU HA H 22 4.550 0.000 4.550 2
1 222 . 1 1 B 22 22 GLU CA C 22 54.720 55.452 -0.732 2
1 223 . 1 1 B 22 22 GLU CB C 22 32.180 31.079 1.101 2
1 225 . 1 1 B 22 22 GLU N N 22 119.130 119.969 -0.839 2
1 226 . 1 1 B 23 23 VAL H H 23 8.990 0.000 8.990 2
1 227 . 1 1 B 23 23 VAL HA H 23 4.150 0.000 4.150 2
1 235 . 1 1 B 23 23 VAL CA C 23 62.690 62.300 0.390 2
1 236 . 1 1 B 23 23 VAL CB C 23 32.140 32.149 -0.009 2
1 239 . 1 1 B 23 23 VAL N N 23 129.820 125.076 4.744 2
1 240 . 1 1 B 24 24 ALA H H 24 7.840 0.000 7.840 2
1 241 . 1 1 B 24 24 ALA HA H 24 4.410 0.000 4.410 2
1 245 . 1 1 B 24 24 ALA CA C 24 52.580 50.745 1.835 2
1 246 . 1 1 B 24 24 ALA CB C 24 18.220 18.139 0.081 2
1 247 . 1 1 B 24 24 ALA N N 24 133.090 130.717 2.373 2
1 248 . 1 1 B 25 25 PRO HA H 25 4.020 0.000 4.020 2
1 254 . 1 1 B 25 25 PRO CA C 25 64.600 65.031 -0.431 2
1 255 . 1 1 B 25 25 PRO CB C 25 31.870 31.735 0.135 2
1 258 . 1 1 B 26 26 ASP H H 26 8.230 0.000 8.230 2
1 259 . 1 1 B 26 26 ASP HA H 26 4.530 0.000 4.530 2
1 262 . 1 1 B 26 26 ASP CA C 26 52.320 53.459 -1.139 2
1 263 . 1 1 B 26 26 ASP CB C 26 39.540 40.103 -0.563 2
1 264 . 1 1 B 26 26 ASP N N 26 116.800 115.348 1.452 2
1 265 . 1 1 B 27 27 ALA H H 27 6.720 0.000 6.720 2
1 266 . 1 1 B 27 27 ALA HA H 27 3.670 0.000 3.670 2
1 270 . 1 1 B 27 27 ALA CA C 27 53.770 53.342 0.428 2
1 271 . 1 1 B 27 27 ALA CB C 27 18.630 19.222 -0.592 2
1 272 . 1 1 B 27 27 ALA N N 27 118.840 123.386 -4.546 2
1 273 . 1 1 B 28 28 LYS H H 28 9.560 0.000 9.560 2
1 274 . 1 1 B 28 28 LYS HA H 28 4.620 0.000 4.620 2
1 283 . 1 1 B 28 28 LYS CA C 28 57.510 57.047 0.463 2
1 284 . 1 1 B 28 28 LYS CB C 28 34.050 33.428 0.622 2
1 288 . 1 1 B 28 28 LYS N N 28 118.770 123.112 -4.342 2
1 289 . 1 1 B 29 29 SER H H 29 8.340 0.000 8.340 2
1 290 . 1 1 B 29 29 SER HA H 29 5.260 0.000 5.260 2
1 293 . 1 1 B 29 29 SER CA C 29 58.010 57.779 0.231 2
1 294 . 1 1 B 29 29 SER CB C 29 64.660 65.520 -0.860 2
1 295 . 1 1 B 29 29 SER N N 29 114.190 111.680 2.510 2
1 296 . 1 1 B 30 30 PHE H H 30 8.160 0.000 8.160 2
1 297 . 1 1 B 30 30 PHE HA H 30 5.240 0.000 5.240 2
1 304 . 1 1 B 30 30 PHE CA C 30 57.680 55.731 1.949 2
1 305 . 1 1 B 30 30 PHE CB C 30 43.050 42.452 0.598 2
1 310 . 1 1 B 30 30 PHE N N 30 118.740 117.401 1.339 2
1 311 . 1 1 B 31 31 VAL H H 31 8.900 0.000 8.900 2
1 312 . 1 1 B 31 31 VAL HA H 31 4.990 0.000 4.990 2
1 320 . 1 1 B 31 31 VAL CA C 31 60.680 60.148 0.532 2
1 321 . 1 1 B 31 31 VAL CB C 31 37.740 35.723 2.017 2
1 324 . 1 1 B 31 31 VAL N N 31 120.410 120.011 0.399 2
1 325 . 1 1 B 32 32 LEU H H 32 8.780 0.000 8.780 2
1 326 . 1 1 B 32 32 LEU HA H 32 5.240 0.000 5.240 2
1 335 . 1 1 B 32 32 LEU CA C 32 54.540 53.989 0.551 2
1 336 . 1 1 B 32 32 LEU CB C 32 45.930 45.711 0.219 2
1 339 . 1 1 B 32 32 LEU N N 32 123.810 127.847 -4.037 2
1 340 . 1 1 B 33 33 ASN H H 33 9.590 0.000 9.590 2
1 341 . 1 1 B 33 33 ASN HA H 33 6.140 0.000 6.140 2
1 344 . 1 1 B 33 33 ASN CA C 33 51.550 51.865 -0.315 2
1 345 . 1 1 B 33 33 ASN CB C 33 41.760 41.419 0.341 2
1 346 . 1 1 B 33 33 ASN N N 33 123.600 124.843 -1.243 2
1 347 . 1 1 B 34 34 LEU H H 34 9.580 0.000 9.580 2
1 348 . 1 1 B 34 34 LEU HA H 34 5.710 0.000 5.710 2
1 358 . 1 1 B 34 34 LEU CA C 34 53.290 53.361 -0.071 2
1 359 . 1 1 B 34 34 LEU CB C 34 46.830 46.058 0.772 2
1 362 . 1 1 B 34 34 LEU N N 34 120.370 123.438 -3.068 2
1 363 . 1 1 B 35 35 GLY H H 35 9.110 0.000 9.110 2
1 364 . 1 1 B 35 35 GLY HA2 H 35 5.060 4.218 0.842 2
1 365 . 1 1 B 35 35 GLY HA3 H 35 4.280 4.218 0.062 2
1 366 . 1 1 B 35 35 GLY CA C 35 48.030 46.004 2.026 2
1 367 . 1 1 B 35 35 GLY N N 35 107.930 109.838 -1.908 2
1 368 . 1 1 B 36 36 LYS H H 36 9.000 0.000 9.000 2
1 369 . 1 1 B 36 36 LYS HA H 36 4.710 0.000 4.710 2
1 376 . 1 1 B 36 36 LYS CA C 36 58.630 57.568 1.062 2
1 377 . 1 1 B 36 36 LYS CB C 36 34.910 33.272 1.638 2
1 380 . 1 1 B 36 36 LYS N N 36 128.560 121.865 6.695 2
1 381 . 1 1 B 37 37 ASP H H 37 7.890 0.000 7.890 2
1 382 . 1 1 B 37 37 ASP HA H 37 3.430 0.000 3.430 2
1 385 . 1 1 B 37 37 ASP CA C 37 53.010 52.596 0.414 2
1 386 . 1 1 B 37 37 ASP CB C 37 40.410 41.374 -0.964 2
1 387 . 1 1 B 37 37 ASP N N 37 114.270 115.939 -1.669 2
1 388 . 1 1 B 38 38 SER H H 38 7.950 0.000 7.950 2
1 389 . 1 1 B 38 38 SER HA H 38 3.430 0.000 3.430 2
1 392 . 1 1 B 38 38 SER CA C 38 61.570 61.038 0.532 2
1 393 . 1 1 B 38 38 SER CB C 38 62.980 62.550 0.430 2
1 394 . 1 1 B 38 38 SER N N 38 109.930 113.355 -3.425 2
1 395 . 1 1 B 39 39 ASN H H 39 7.860 0.000 7.860 2
1 396 . 1 1 B 39 39 ASN HA H 39 4.550 0.000 4.550 2
1 401 . 1 1 B 39 39 ASN CA C 39 52.950 53.268 -0.318 2
1 402 . 1 1 B 39 39 ASN CB C 39 41.290 39.145 2.145 2
1 403 . 1 1 B 39 39 ASN N N 39 117.700 118.318 -0.618 2
1 405 . 1 1 B 40 40 ASN H H 40 7.450 0.000 7.450 2
1 406 . 1 1 B 40 40 ASN HA H 40 5.470 0.000 5.470 2
1 411 . 1 1 B 40 40 ASN CA C 40 53.010 52.170 0.840 2
1 412 . 1 1 B 40 40 ASN CB C 40 41.860 39.779 2.081 2
1 413 . 1 1 B 40 40 ASN N N 40 122.780 117.663 5.117 2
1 415 . 1 1 B 41 41 LEU H H 41 9.650 0.000 9.650 2
1 416 . 1 1 B 41 41 LEU HA H 41 5.010 0.000 5.010 2
1 423 . 1 1 B 41 41 LEU CA C 41 53.630 53.234 0.396 2
1 424 . 1 1 B 41 41 LEU CB C 41 43.010 43.588 -0.578 2
1 425 . 1 1 B 41 41 LEU N N 41 122.790 124.907 -2.117 2
1 426 . 1 1 B 42 42 CYS H H 42 8.810 0.000 8.810 2
1 427 . 1 1 B 42 42 CYS HA H 42 4.960 0.000 4.960 2
1 430 . 1 1 B 42 42 CYS CA C 42 56.600 60.199 -3.599 2
1 431 . 1 1 B 42 42 CYS CB C 42 29.320 28.340 0.980 2
1 432 . 1 1 B 42 42 CYS N N 42 118.680 122.757 -4.077 2
1 433 . 1 1 B 43 43 LEU H H 43 8.170 0.000 8.170 2
1 434 . 1 1 B 43 43 LEU HA H 43 4.730 0.000 4.730 2
1 441 . 1 1 B 43 43 LEU CA C 43 56.870 54.560 2.310 2
1 442 . 1 1 B 43 43 LEU CB C 43 46.240 45.122 1.118 2
1 444 . 1 1 B 43 43 LEU N N 43 120.450 120.578 -0.128 2
1 445 . 1 1 B 44 44 HIS H H 44 9.160 0.000 9.160 2
1 446 . 1 1 B 44 44 HIS HA H 44 5.700 0.000 5.700 2
1 449 . 1 1 B 44 44 HIS CA C 44 55.290 53.742 1.548 2
1 450 . 1 1 B 44 44 HIS CB C 44 29.250 31.734 -2.484 2
1 451 . 1 1 B 44 44 HIS N N 44 129.650 127.589 2.061 2
1 452 . 1 1 B 45 45 PHE H H 45 9.050 0.000 9.050 2
1 453 . 1 1 B 45 45 PHE HA H 45 4.800 0.000 4.800 2
1 458 . 1 1 B 45 45 PHE CA C 45 56.420 56.497 -0.077 2
1 459 . 1 1 B 45 45 PHE CB C 45 40.530 40.268 0.262 2
1 460 . 1 1 B 45 45 PHE N N 45 127.870 129.109 -1.239 2
1 461 . 1 1 B 46 46 ASN H H 46 8.430 0.000 8.430 2
1 462 . 1 1 B 46 46 ASN HA H 46 5.340 0.000 5.340 2
1 467 . 1 1 B 46 46 ASN CA C 46 49.440 49.484 -0.044 2
1 468 . 1 1 B 46 46 ASN CB C 46 41.150 40.411 0.739 2
1 469 . 1 1 B 46 46 ASN N N 46 123.030 124.732 -1.702 2
1 471 . 1 1 B 47 47 PRO HA H 47 3.890 0.000 3.890 2
1 478 . 1 1 B 47 47 PRO CA C 47 63.460 62.574 0.886 2
1 479 . 1 1 B 47 47 PRO CB C 47 31.100 30.888 0.212 2
1 482 . 1 1 B 48 48 ARG H H 48 8.700 0.000 8.700 2
1 483 . 1 1 B 48 48 ARG HA H 48 4.380 0.000 4.380 2
1 484 . 1 1 B 48 48 ARG CA C 48 54.660 55.043 -0.383 2
1 485 . 1 1 B 48 48 ARG CB C 48 31.800 31.536 0.264 2
1 486 . 1 1 B 48 48 ARG N N 48 126.030 125.735 0.295 2
1 487 . 1 1 B 49 49 PHE H H 49 8.060 0.000 8.060 2
1 488 . 1 1 B 49 49 PHE HA H 49 4.040 0.000 4.040 2
1 495 . 1 1 B 49 49 PHE CA C 49 60.000 59.538 0.462 2
1 496 . 1 1 B 49 49 PHE CB C 49 38.700 39.738 -1.038 2
1 497 . 1 1 B 49 49 PHE N N 49 123.450 122.542 0.908 2
1 498 . 1 1 B 50 50 ASN H H 50 8.080 0.000 8.080 2
1 499 . 1 1 B 50 50 ASN HA H 50 4.940 0.000 4.940 2
1 504 . 1 1 B 50 50 ASN CA C 50 53.750 52.668 1.082 2
1 505 . 1 1 B 50 50 ASN CB C 50 39.370 39.487 -0.117 2
1 506 . 1 1 B 50 50 ASN N N 50 116.270 115.254 1.016 2
1 508 . 1 1 B 51 51 ALA H H 51 8.390 0.000 8.390 2
1 509 . 1 1 B 51 51 ALA HA H 51 4.390 0.000 4.390 2
1 513 . 1 1 B 51 51 ALA CA C 51 52.870 51.438 1.432 2
1 514 . 1 1 B 51 51 ALA CB C 51 19.880 22.393 -2.513 2
1 515 . 1 1 B 51 51 ALA N N 51 124.370 125.787 -1.417 2
1 516 . 1 1 B 52 52 HIS H H 52 8.900 0.000 8.900 2
1 517 . 1 1 B 52 52 HIS HA H 52 4.730 0.000 4.730 2
1 520 . 1 1 B 52 52 HIS CA C 52 56.760 57.112 -0.352 2
1 521 . 1 1 B 52 52 HIS CB C 52 26.130 27.500 -1.370 2
1 522 . 1 1 B 52 52 HIS N N 52 116.760 120.040 -3.280 2
1 523 . 1 1 B 53 53 GLY H H 53 8.540 0.000 8.540 2
1 524 . 1 1 B 53 53 GLY HA2 H 53 4.170 3.746 0.424 2
1 525 . 1 1 B 53 53 GLY HA3 H 53 3.560 3.746 -0.186 2
1 526 . 1 1 B 53 53 GLY CA C 53 45.500 45.229 0.271 2
1 527 . 1 1 B 53 53 GLY N N 53 106.950 104.796 2.154 2
1 528 . 1 1 B 54 54 ASP H H 54 7.980 0.000 7.980 2
1 529 . 1 1 B 54 54 ASP HA H 54 4.780 0.000 4.780 2
1 532 . 1 1 B 54 54 ASP CA C 54 54.060 53.041 1.019 2
1 533 . 1 1 B 54 54 ASP CB C 54 44.380 43.154 1.226 2
1 534 . 1 1 B 54 54 ASP N N 54 120.370 120.114 0.256 2
1 535 . 1 1 B 55 55 ALA H H 55 8.110 0.000 8.110 2
1 536 . 1 1 B 55 55 ALA HA H 55 4.540 0.000 4.540 2
1 540 . 1 1 B 55 55 ALA CA C 55 50.880 50.251 0.629 2
1 541 . 1 1 B 55 55 ALA CB C 55 18.630 22.046 -3.416 2
1 542 . 1 1 B 55 55 ALA N N 55 122.030 122.295 -0.265 2
1 543 . 1 1 B 56 56 ASN H H 56 8.100 0.000 8.100 2
1 544 . 1 1 B 56 56 ASN HA H 56 4.040 0.000 4.040 2
1 549 . 1 1 B 56 56 ASN CA C 56 53.010 53.271 -0.261 2
1 550 . 1 1 B 56 56 ASN CB C 56 36.760 36.377 0.383 2
1 551 . 1 1 B 56 56 ASN N N 56 125.420 116.635 8.785 2
1 553 . 1 1 B 57 57 THR H H 57 7.640 0.000 7.640 2
1 554 . 1 1 B 57 57 THR HA H 57 4.620 0.000 4.620 2
1 559 . 1 1 B 57 57 THR CA C 57 61.450 61.225 0.225 2
1 560 . 1 1 B 57 57 THR CB C 57 73.110 71.955 1.155 2
1 562 . 1 1 B 57 57 THR N N 57 112.330 111.796 0.534 2
1 563 . 1 1 B 58 58 ILE H H 58 9.120 0.000 9.120 2
1 564 . 1 1 B 58 58 ILE HA H 58 3.940 0.000 3.940 2
1 568 . 1 1 B 58 58 ILE CA C 58 61.810 60.264 1.546 2
1 569 . 1 1 B 58 58 ILE CB C 58 38.630 37.814 0.816 2
1 571 . 1 1 B 58 58 ILE N N 58 126.730 127.876 -1.146 2
1 572 . 1 1 B 59 59 VAL H H 59 7.340 0.000 7.340 2
1 573 . 1 1 B 59 59 VAL HA H 59 4.360 0.000 4.360 2
1 581 . 1 1 B 59 59 VAL CA C 59 62.040 61.548 0.492 2
1 582 . 1 1 B 59 59 VAL CB C 59 33.800 33.368 0.432 2
1 585 . 1 1 B 59 59 VAL N N 59 128.980 128.166 0.814 2
1 586 . 1 1 B 60 60 CYS H H 60 8.920 0.000 8.920 2
1 587 . 1 1 B 60 60 CYS HA H 60 5.930 0.000 5.930 2
1 590 . 1 1 B 60 60 CYS CA C 60 56.240 56.516 -0.276 2
1 591 . 1 1 B 60 60 CYS CB C 60 30.500 31.435 -0.935 2
1 592 . 1 1 B 60 60 CYS N N 60 122.810 124.223 -1.413 2
1 593 . 1 1 B 61 61 ASN H H 61 8.860 0.000 8.860 2
1 594 . 1 1 B 61 61 ASN HA H 61 5.250 0.000 5.250 2
1 599 . 1 1 B 61 61 ASN CA C 61 51.280 52.296 -1.016 2
1 600 . 1 1 B 61 61 ASN CB C 61 43.360 42.736 0.624 2
1 601 . 1 1 B 61 61 ASN N N 61 118.340 121.948 -3.608 2
1 603 . 1 1 B 62 62 SER H H 62 10.180 0.000 10.180 2
1 604 . 1 1 B 62 62 SER HA H 62 4.780 0.000 4.780 2
1 607 . 1 1 B 62 62 SER CA C 62 56.890 56.407 0.483 2
1 608 . 1 1 B 62 62 SER CB C 62 66.960 66.534 0.426 2
1 609 . 1 1 B 62 62 SER N N 62 115.110 115.959 -0.849 2
1 610 . 1 1 B 63 63 LYS H H 63 8.900 0.000 8.900 2
1 611 . 1 1 B 63 63 LYS HA H 63 4.630 0.000 4.630 2
1 620 . 1 1 B 63 63 LYS CA C 63 56.130 54.550 1.580 2
1 621 . 1 1 B 63 63 LYS CB C 63 37.490 35.102 2.388 2
1 625 . 1 1 B 63 63 LYS N N 63 121.600 121.939 -0.339 2
1 626 . 1 1 B 64 64 ASP H H 64 8.530 0.000 8.530 2
1 627 . 1 1 B 64 64 ASP HA H 64 5.000 0.000 5.000 2
1 630 . 1 1 B 64 64 ASP CA C 64 52.610 52.617 -0.007 2
1 631 . 1 1 B 64 64 ASP CB C 64 42.990 42.553 0.437 2
1 632 . 1 1 B 64 64 ASP N N 64 126.020 126.089 -0.069 2
1 633 . 1 1 B 65 65 GLY H H 65 8.700 0.000 8.700 2
1 634 . 1 1 B 65 65 GLY HA2 H 65 3.780 3.716 0.064 2
1 635 . 1 1 B 65 65 GLY HA3 H 65 3.720 3.716 0.004 2
1 636 . 1 1 B 65 65 GLY CA C 65 47.670 47.137 0.533 2
1 637 . 1 1 B 65 65 GLY N N 65 118.840 113.670 5.170 2
1 638 . 1 1 B 66 66 GLY H H 66 8.150 0.000 8.150 2
1 639 . 1 1 B 66 66 GLY HA2 H 66 4.230 3.838 0.392 2
1 640 . 1 1 B 66 66 GLY HA3 H 66 3.130 3.838 -0.708 2
1 641 . 1 1 B 66 66 GLY CA C 66 44.730 45.205 -0.475 2
1 642 . 1 1 B 66 66 GLY N N 66 103.130 107.449 -4.319 2
1 643 . 1 1 B 67 67 ALA H H 67 7.420 0.000 7.420 2
1 644 . 1 1 B 67 67 ALA HA H 67 4.610 0.000 4.610 2
1 648 . 1 1 B 67 67 ALA CA C 67 50.700 51.565 -0.865 2
1 649 . 1 1 B 67 67 ALA CB C 67 20.360 20.110 0.250 2
1 650 . 1 1 B 67 67 ALA N N 67 123.360 123.185 0.175 2
1 651 . 1 1 B 68 68 TRP H H 68 8.690 0.000 8.690 2
1 652 . 1 1 B 68 68 TRP HA H 68 4.960 0.000 4.960 2
1 658 . 1 1 B 68 68 TRP CA C 68 57.790 57.379 0.411 2
1 659 . 1 1 B 68 68 TRP CB C 68 31.140 30.333 0.807 2
1 662 . 1 1 B 68 68 TRP N N 68 127.590 123.795 3.795 2
1 664 . 1 1 B 69 69 GLY H H 69 8.230 0.000 8.230 2
1 665 . 1 1 B 69 69 GLY HA2 H 69 4.550 4.112 0.438 2
1 666 . 1 1 B 69 69 GLY HA3 H 69 3.640 4.112 -0.472 2
1 667 . 1 1 B 69 69 GLY CA C 69 44.960 44.308 0.652 2
1 668 . 1 1 B 69 69 GLY N N 69 110.240 111.442 -1.202 2
1 669 . 1 1 B 70 70 THR H H 70 8.290 0.000 8.290 2
1 670 . 1 1 B 70 70 THR HA H 70 4.480 0.000 4.480 2
1 675 . 1 1 B 70 70 THR CA C 70 62.860 63.312 -0.452 2
1 676 . 1 1 B 70 70 THR CB C 70 63.600 69.686 -6.086 2
1 678 . 1 1 B 70 70 THR N N 70 118.660 115.035 3.625 2
1 679 . 1 1 B 71 71 GLU H H 71 8.950 0.000 8.950 2
1 680 . 1 1 B 71 71 GLU HA H 71 4.460 0.000 4.460 2
1 685 . 1 1 B 71 71 GLU CA C 71 58.010 57.440 0.570 2
1 686 . 1 1 B 71 71 GLU CB C 71 31.120 30.545 0.575 2
1 688 . 1 1 B 71 71 GLU N N 71 128.050 127.003 1.047 2
1 689 . 1 1 B 72 72 GLN H H 72 9.160 0.000 9.160 2
1 690 . 1 1 B 72 72 GLN HA H 72 4.770 0.000 4.770 2
1 697 . 1 1 B 72 72 GLN CA C 72 55.510 54.672 0.838 2
1 698 . 1 1 B 72 72 GLN CB C 72 33.580 32.525 1.055 2
1 700 . 1 1 B 72 72 GLN N N 72 122.770 120.140 2.630 2
1 702 . 1 1 B 73 73 ARG H H 73 8.810 0.000 8.810 2
1 703 . 1 1 B 73 73 ARG HA H 73 5.240 0.000 5.240 2
1 710 . 1 1 B 73 73 ARG CA C 73 54.990 54.324 0.666 2
1 711 . 1 1 B 73 73 ARG CB C 73 32.960 32.630 0.330 2
1 714 . 1 1 B 73 73 ARG N N 73 125.420 123.188 2.232 2
1 715 . 1 1 B 74 74 GLU H H 74 8.350 0.000 8.350 2
1 716 . 1 1 B 74 74 GLU CA C 74 54.260 55.321 -1.061 2
1 717 . 1 1 B 74 74 GLU CB C 74 29.880 30.308 -0.428 2
1 718 . 1 1 B 74 74 GLU N N 74 120.940 121.789 -0.849 2
1 719 . 1 1 B 75 75 ALA H H 75 8.620 0.000 8.620 2
1 720 . 1 1 B 75 75 ALA HA H 75 4.540 0.000 4.540 2
1 724 . 1 1 B 75 75 ALA CA C 75 52.320 53.615 -1.295 2
1 725 . 1 1 B 75 75 ALA CB C 75 19.880 19.682 0.198 2
1 726 . 1 1 B 75 75 ALA N N 75 125.070 123.393 1.677 2
1 727 . 1 1 B 76 76 VAL H H 76 7.150 0.000 7.150 2
1 728 . 1 1 B 76 76 VAL HA H 76 3.980 0.000 3.980 2
1 736 . 1 1 B 76 76 VAL CA C 76 61.790 59.151 2.639 2
1 737 . 1 1 B 76 76 VAL CB C 76 33.200 35.604 -2.404 2
1 740 . 1 1 B 76 76 VAL N N 76 115.440 112.362 3.078 2
1 741 . 1 1 B 77 77 PHE H H 77 8.510 0.000 8.510 2
1 742 . 1 1 B 77 77 PHE HA H 77 4.480 0.000 4.480 2
1 749 . 1 1 B 77 77 PHE CA C 77 57.940 56.537 1.403 2
1 750 . 1 1 B 77 77 PHE CB C 77 37.090 39.419 -2.329 2
1 751 . 1 1 B 77 77 PHE N N 77 122.210 123.262 -1.052 2
1 752 . 1 1 B 78 78 PRO HA H 78 4.730 0.000 4.730 2
1 759 . 1 1 B 78 78 PRO CA C 78 62.400 62.583 -0.183 2
1 760 . 1 1 B 78 78 PRO CB C 78 30.300 29.362 0.938 2
1 763 . 1 1 B 79 79 PHE H H 79 6.280 0.000 6.280 2
1 764 . 1 1 B 79 79 PHE HA H 79 4.730 0.000 4.730 2
1 771 . 1 1 B 79 79 PHE CA C 79 57.060 56.182 0.878 2
1 772 . 1 1 B 79 79 PHE CB C 79 42.890 44.230 -1.340 2
1 777 . 1 1 B 79 79 PHE N N 79 114.960 121.473 -6.513 2
1 778 . 1 1 B 80 80 GLN H H 80 9.160 0.000 9.160 2
1 779 . 1 1 B 80 80 GLN HA H 80 5.210 0.000 5.210 2
1 786 . 1 1 B 80 80 GLN CA C 80 53.010 54.061 -1.051 2
1 787 . 1 1 B 80 80 GLN CB C 80 31.340 31.652 -0.312 2
1 789 . 1 1 B 80 80 GLN N N 80 120.580 118.424 2.156 2
1 791 . 1 1 B 81 81 PRO HA H 81 3.980 0.000 3.980 2
1 798 . 1 1 B 81 81 PRO CA C 81 63.740 63.406 0.334 2
1 799 . 1 1 B 81 81 PRO CB C 81 32.180 31.742 0.438 2
1 802 . 1 1 B 82 82 GLY H H 82 7.250 0.000 7.250 2
1 803 . 1 1 B 82 82 GLY HA2 H 82 4.100 3.885 0.215 2
1 804 . 1 1 B 82 82 GLY HA3 H 82 3.710 3.885 -0.175 2
1 805 . 1 1 B 82 82 GLY CA C 82 46.450 46.838 -0.388 2
1 806 . 1 1 B 82 82 GLY N N 82 112.600 112.315 0.285 2
1 807 . 1 1 B 83 83 SER H H 83 7.560 0.000 7.560 2
1 808 . 1 1 B 83 83 SER HA H 83 4.910 0.000 4.910 2
1 811 . 1 1 B 83 83 SER CA C 83 57.550 56.974 0.576 2
1 812 . 1 1 B 83 83 SER CB C 83 66.500 65.881 0.619 2
1 813 . 1 1 B 83 83 SER N N 83 113.130 111.482 1.648 2
1 814 . 1 1 B 84 84 VAL H H 84 8.470 0.000 8.470 2
1 815 . 1 1 B 84 84 VAL HA H 84 4.700 0.000 4.700 2
1 823 . 1 1 B 84 84 VAL CA C 84 63.010 61.622 1.388 2
1 824 . 1 1 B 84 84 VAL CB C 84 31.130 32.708 -1.578 2
1 825 . 1 1 B 84 84 VAL N N 84 122.280 121.472 0.808 2
1 826 . 1 1 B 85 85 ALA H H 85 9.190 0.000 9.190 2
1 827 . 1 1 B 85 85 ALA HA H 85 4.900 0.000 4.900 2
1 831 . 1 1 B 85 85 ALA CA C 85 51.350 50.600 0.750 2
1 832 . 1 1 B 85 85 ALA CB C 85 23.790 23.052 0.738 2
1 833 . 1 1 B 85 85 ALA N N 85 128.340 129.042 -0.702 2
1 834 . 1 1 B 86 86 GLU H H 86 7.980 0.000 7.980 2
1 835 . 1 1 B 86 86 GLU HA H 86 5.650 0.000 5.650 2
1 840 . 1 1 B 86 86 GLU CA C 86 54.880 54.921 -0.041 2
1 841 . 1 1 B 86 86 GLU CB C 86 34.060 33.453 0.607 2
1 843 . 1 1 B 86 86 GLU N N 86 121.850 122.605 -0.755 2
1 844 . 1 1 B 87 87 VAL H H 87 8.900 0.000 8.900 2
1 845 . 1 1 B 87 87 VAL HA H 87 4.650 0.000 4.650 2
1 853 . 1 1 B 87 87 VAL CA C 87 60.250 59.545 0.705 2
1 854 . 1 1 B 87 87 VAL CB C 87 35.460 35.235 0.225 2
1 857 . 1 1 B 87 87 VAL N N 87 123.000 119.743 3.257 2
1 858 . 1 1 B 88 88 CYS H H 88 8.230 0.000 8.230 2
1 859 . 1 1 B 88 88 CYS HA H 88 5.580 0.000 5.580 2
1 862 . 1 1 B 88 88 CYS CA C 88 56.560 56.956 -0.396 2
1 863 . 1 1 B 88 88 CYS CB C 88 29.810 29.702 0.108 2
1 864 . 1 1 B 88 88 CYS N N 88 122.950 121.415 1.535 2
1 865 . 1 1 B 89 89 ILE H H 89 9.550 0.000 9.550 2
1 866 . 1 1 B 89 89 ILE HA H 89 4.960 0.000 4.960 2
1 876 . 1 1 B 89 89 ILE CA C 89 60.530 60.114 0.416 2
1 877 . 1 1 B 89 89 ILE CB C 89 41.900 40.927 0.973 2
1 881 . 1 1 B 89 89 ILE N N 89 127.660 126.174 1.486 2
1 882 . 1 1 B 90 90 THR H H 90 8.840 0.000 8.840 2
1 883 . 1 1 B 90 90 THR HA H 90 4.850 0.000 4.850 2
1 888 . 1 1 B 90 90 THR CA C 90 61.040 60.195 0.845 2
1 889 . 1 1 B 90 90 THR CB C 90 71.320 70.479 0.841 2
1 891 . 1 1 B 90 90 THR N N 90 120.940 120.285 0.655 2
1 892 . 1 1 B 91 91 PHE H H 91 9.090 0.000 9.090 2
1 893 . 1 1 B 91 91 PHE HA H 91 5.350 0.000 5.350 2
1 900 . 1 1 B 91 91 PHE CA C 91 56.550 56.029 0.521 2
1 901 . 1 1 B 91 91 PHE CB C 91 42.490 41.413 1.077 2
1 902 . 1 1 B 91 91 PHE N N 91 123.210 119.512 3.698 2
1 903 . 1 1 B 92 92 ASP H H 92 8.130 0.000 8.130 2
1 904 . 1 1 B 92 92 ASP HA H 92 4.150 0.000 4.150 2
1 906 . 1 1 B 92 92 ASP CA C 92 52.890 52.618 0.272 2
1 907 . 1 1 B 92 92 ASP CB C 92 43.130 42.675 0.455 2
1 908 . 1 1 B 92 92 ASP N N 92 122.260 118.931 3.329 2
1 909 . 1 1 B 93 93 GLN H H 93 8.440 0.000 8.440 2
1 910 . 1 1 B 93 93 GLN HA H 93 3.930 0.000 3.930 2
1 917 . 1 1 B 93 93 GLN CA C 93 59.310 58.433 0.877 2
1 918 . 1 1 B 93 93 GLN CB C 93 28.840 28.176 0.664 2
1 920 . 1 1 B 93 93 GLN N N 93 114.980 117.252 -2.272 2
1 921 . 1 1 B 94 94 ALA H H 94 8.560 0.000 8.560 2
1 922 . 1 1 B 94 94 ALA HA H 94 4.600 0.000 4.600 2
1 926 . 1 1 B 94 94 ALA CA C 94 53.760 53.826 -0.066 2
1 927 . 1 1 B 94 94 ALA CB C 94 21.240 20.020 1.220 2
1 928 . 1 1 B 94 94 ALA N N 94 119.390 120.843 -1.453 2
1 929 . 1 1 B 95 95 ASN H H 95 8.560 0.000 8.560 2
1 930 . 1 1 B 95 95 ASN HA H 95 5.210 0.000 5.210 2
1 935 . 1 1 B 95 95 ASN CA C 95 53.270 51.962 1.308 2
1 936 . 1 1 B 95 95 ASN CB C 95 44.150 43.513 0.637 2
1 937 . 1 1 B 95 95 ASN N N 95 116.780 114.371 2.409 2
1 939 . 1 1 B 96 96 LEU H H 96 9.800 0.000 9.800 2
1 940 . 1 1 B 96 96 LEU HA H 96 5.080 0.000 5.080 2
1 950 . 1 1 B 96 96 LEU CA C 96 56.750 53.416 3.334 2
1 951 . 1 1 B 96 96 LEU CB C 96 42.770 44.560 -1.790 2
1 955 . 1 1 B 96 96 LEU N N 96 122.220 121.836 0.384 2
1 956 . 1 1 B 97 97 THR H H 97 8.980 0.000 8.980 2
1 957 . 1 1 B 97 97 THR HA H 97 4.710 0.000 4.710 2
1 962 . 1 1 B 97 97 THR CA C 97 63.870 61.771 2.099 2
1 963 . 1 1 B 97 97 THR CB C 97 69.700 70.188 -0.488 2
1 965 . 1 1 B 97 97 THR N N 97 119.080 118.158 0.922 2
1 966 . 1 1 B 98 98 VAL H H 98 8.740 0.000 8.740 2
1 967 . 1 1 B 98 98 VAL HA H 98 4.220 0.000 4.220 2
1 975 . 1 1 B 98 98 VAL CA C 98 60.940 60.809 0.131 2
1 976 . 1 1 B 98 98 VAL CB C 98 31.890 33.806 -1.916 2
1 979 . 1 1 B 98 98 VAL N N 98 128.990 127.291 1.699 2
1 980 . 1 1 B 99 99 LYS H H 99 9.020 0.000 9.020 2
1 981 . 1 1 B 99 99 LYS HA H 99 4.910 0.000 4.910 2
1 990 . 1 1 B 99 99 LYS CA C 99 55.240 54.585 0.655 2
1 991 . 1 1 B 99 99 LYS CB C 99 34.820 35.349 -0.529 2
1 995 . 1 1 B 99 99 LYS N N 99 126.680 128.920 -2.240 2
1 996 . 1 1 B 100 100 LEU H H 100 9.070 0.000 9.070 2
1 997 . 1 1 B 100 100 LEU HA H 100 4.680 0.000 4.680 2
1 998 . 1 1 B 100 100 LEU CA C 100 53.000 52.930 0.070 2
1 999 . 1 1 B 100 100 LEU CB C 100 40.510 42.604 -2.094 2
1 1000 . 1 1 B 100 100 LEU N N 100 125.810 127.017 -1.207 2
1 1001 . 1 1 B 101 101 PRO HA H 101 4.490 0.000 4.490 2
1 1008 . 1 1 B 101 101 PRO CA C 101 65.030 65.489 -0.459 2
1 1009 . 1 1 B 101 101 PRO CB C 101 32.570 31.372 1.198 2
1 1012 . 1 1 B 102 102 ASP H H 102 8.150 0.000 8.150 2
1 1013 . 1 1 B 102 102 ASP HA H 102 4.390 0.000 4.390 2
1 1016 . 1 1 B 102 102 ASP CA C 102 54.680 53.218 1.462 2
1 1017 . 1 1 B 102 102 ASP CB C 102 40.310 39.937 0.373 2
1 1018 . 1 1 B 102 102 ASP N N 102 114.140 113.604 0.536 2
1 1019 . 1 1 B 103 103 GLY H H 103 8.280 0.000 8.280 2
1 1020 . 1 1 B 103 103 GLY HA2 H 103 4.240 3.971 0.269 2
1 1021 . 1 1 B 103 103 GLY HA3 H 103 3.500 3.971 -0.471 2
1 1022 . 1 1 B 103 103 GLY CA C 103 45.500 45.660 -0.160 2
1 1023 . 1 1 B 103 103 GLY N N 103 107.710 108.787 -1.077 2
1 1024 . 1 1 B 104 104 TYR HA H 104 4.600 0.000 4.600 2
1 1029 . 1 1 B 104 104 TYR CA C 104 55.980 58.455 -2.475 2
1 1030 . 1 1 B 104 104 TYR CB C 104 43.210 39.252 3.958 2
1 1033 . 1 1 B 105 105 GLU H H 105 9.040 0.000 9.040 2
1 1034 . 1 1 B 105 105 GLU HA H 105 5.600 0.000 5.600 2
1 1039 . 1 1 B 105 105 GLU CA C 105 54.260 54.312 -0.052 2
1 1040 . 1 1 B 105 105 GLU CB C 105 34.050 33.364 0.686 2
1 1042 . 1 1 B 105 105 GLU N N 105 127.330 124.505 2.825 2
1 1043 . 1 1 B 106 106 PHE H H 106 8.510 0.000 8.510 2
1 1044 . 1 1 B 106 106 PHE HA H 106 5.000 0.000 5.000 2
1 1051 . 1 1 B 106 106 PHE CA C 106 55.700 55.570 0.130 2
1 1052 . 1 1 B 106 106 PHE CB C 106 42.510 42.371 0.139 2
1 1053 . 1 1 B 106 106 PHE N N 106 117.860 117.335 0.525 2
1 1054 . 1 1 B 107 107 LYS H H 107 8.640 0.000 8.640 2
1 1055 . 1 1 B 107 107 LYS HA H 107 5.470 0.000 5.470 2
1 1064 . 1 1 B 107 107 LYS CA C 107 54.460 54.573 -0.113 2
1 1065 . 1 1 B 107 107 LYS CB C 107 35.970 35.902 0.068 2
1 1069 . 1 1 B 107 107 LYS N N 107 118.840 119.442 -0.602 2
1 1070 . 1 1 B 108 108 PHE H H 108 9.150 0.000 9.150 2
1 1071 . 1 1 B 108 108 PHE HA H 108 5.380 0.000 5.380 2
1 1078 . 1 1 B 108 108 PHE CA C 108 54.760 56.049 -1.289 2
1 1079 . 1 1 B 108 108 PHE CB C 108 44.180 43.983 0.197 2
1 1080 . 1 1 B 108 108 PHE N N 108 125.050 124.020 1.030 2
1 1081 . 1 1 B 109 109 PRO HA H 109 4.780 0.000 4.780 2
1 1088 . 1 1 B 109 109 PRO CA C 109 63.120 62.903 0.217 2
1 1089 . 1 1 B 109 109 PRO CB C 109 32.160 31.949 0.211 2
1 1092 . 1 1 B 110 110 ASN H H 110 8.150 0.000 8.150 2
1 1093 . 1 1 B 110 110 ASN HA H 110 4.690 0.000 4.690 2
1 1098 . 1 1 B 110 110 ASN CA C 110 51.510 51.832 -0.322 2
1 1099 . 1 1 B 110 110 ASN CB C 110 35.510 37.770 -2.260 2
1 1100 . 1 1 B 110 110 ASN N N 110 118.740 120.965 -2.225 2
1 1102 . 1 1 B 111 111 ARG H H 111 8.540 0.000 8.540 2
1 1103 . 1 1 B 111 111 ARG HA H 111 4.110 0.000 4.110 2
1 1104 . 1 1 B 111 111 ARG CA C 111 59.260 57.788 1.472 2
1 1105 . 1 1 B 111 111 ARG CB C 111 29.890 30.023 -0.133 2
1 1106 . 1 1 B 111 111 ARG N N 111 124.010 125.749 -1.739 2
1 1107 . 1 1 B 112 112 LEU H H 112 8.520 0.000 8.520 2
1 1108 . 1 1 B 112 112 LEU HA H 112 4.380 0.000 4.380 2
1 1114 . 1 1 B 112 112 LEU CA C 112 55.560 54.538 1.022 2
1 1115 . 1 1 B 112 112 LEU CB C 112 43.000 42.350 0.650 2
1 1117 . 1 1 B 112 112 LEU N N 112 118.260 117.563 0.697 2
1 1118 . 1 1 B 113 113 ASN H H 113 7.920 0.000 7.920 2
1 1119 . 1 1 B 113 113 ASN HA H 113 4.370 0.000 4.370 2
1 1124 . 1 1 B 113 113 ASN CA C 113 54.240 54.305 -0.065 2
1 1125 . 1 1 B 113 113 ASN CB C 113 37.650 36.969 0.681 2
1 1126 . 1 1 B 113 113 ASN N N 113 116.110 115.905 0.205 2
1 1128 . 1 1 B 114 114 LEU H H 114 7.710 0.000 7.710 2
1 1129 . 1 1 B 114 114 LEU HA H 114 4.250 0.000 4.250 2
1 1132 . 1 1 B 114 114 LEU CA C 114 56.130 55.551 0.579 2
1 1133 . 1 1 B 114 114 LEU CB C 114 42.180 42.119 0.061 2
1 1134 . 1 1 B 114 114 LEU N N 114 116.050 120.159 -4.109 2
1 1135 . 1 1 B 115 115 GLU H H 115 9.030 0.000 9.030 2
1 1136 . 1 1 B 115 115 GLU HA H 115 4.370 0.000 4.370 2
1 1141 . 1 1 B 115 115 GLU CA C 115 56.760 56.599 0.161 2
1 1142 . 1 1 B 115 115 GLU CB C 115 30.920 30.642 0.278 2
1 1144 . 1 1 B 115 115 GLU N N 115 120.100 123.383 -3.283 2
1 1145 . 1 1 B 116 116 ALA H H 116 7.410 0.000 7.410 2
1 1146 . 1 1 B 116 116 ALA HA H 116 5.040 0.000 5.040 2
1 1150 . 1 1 B 116 116 ALA CA C 116 51.520 51.818 -0.298 2
1 1151 . 1 1 B 116 116 ALA CB C 116 22.100 23.066 -0.966 2
1 1152 . 1 1 B 116 116 ALA N N 116 118.920 119.571 -0.651 2
1 1153 . 1 1 B 117 117 ILE H H 117 8.800 0.000 8.800 2
1 1154 . 1 1 B 117 117 ILE HA H 117 3.850 0.000 3.850 2
1 1164 . 1 1 B 117 117 ILE CA C 117 61.850 60.328 1.522 2
1 1165 . 1 1 B 117 117 ILE CB C 117 39.470 39.645 -0.175 2
1 1169 . 1 1 B 117 117 ILE N N 117 120.730 121.301 -0.571 2
1 1170 . 1 1 B 118 118 ASN H H 118 7.780 0.000 7.780 2
1 1171 . 1 1 B 118 118 ASN HA H 118 5.280 0.000 5.280 2
1 1176 . 1 1 B 118 118 ASN CA C 118 54.110 53.440 0.670 2
1 1177 . 1 1 B 118 118 ASN CB C 118 43.510 40.379 3.131 2
1 1178 . 1 1 B 118 118 ASN N N 118 123.990 125.780 -1.790 2
1 1180 . 1 1 B 119 119 TYR H H 119 8.280 0.000 8.280 2
1 1181 . 1 1 B 119 119 TYR HA H 119 5.350 0.000 5.350 2
1 1186 . 1 1 B 119 119 TYR CA C 119 57.170 56.734 0.436 2
1 1187 . 1 1 B 119 119 TYR CB C 119 42.430 42.009 0.421 2
1 1190 . 1 1 B 119 119 TYR N N 119 123.170 120.953 2.217 2
1 1191 . 1 1 B 120 120 MET H H 120 8.590 0.000 8.590 2
1 1192 . 1 1 B 120 120 MET HA H 120 5.360 0.000 5.360 2
1 1197 . 1 1 B 120 120 MET CA C 120 53.790 53.941 -0.151 2
1 1198 . 1 1 B 120 120 MET CB C 120 37.780 35.837 1.943 2
1 1200 . 1 1 B 120 120 MET N N 120 126.990 127.229 -0.239 2
1 1201 . 1 1 B 121 121 ALA H H 121 8.940 0.000 8.940 2
1 1202 . 1 1 B 121 121 ALA HA H 121 5.340 0.000 5.340 2
1 1206 . 1 1 B 121 121 ALA CA C 121 51.170 51.365 -0.195 2
1 1207 . 1 1 B 121 121 ALA CB C 121 24.350 22.922 1.428 2
1 1208 . 1 1 B 121 121 ALA N N 121 125.300 125.488 -0.188 2
1 1209 . 1 1 B 122 122 ALA H H 122 8.690 0.000 8.690 2
1 1210 . 1 1 B 122 122 ALA HA H 122 5.670 0.000 5.670 2
1 1214 . 1 1 B 122 122 ALA CA C 122 50.040 50.073 -0.033 2
1 1215 . 1 1 B 122 122 ALA CB C 122 23.250 22.607 0.643 2
1 1216 . 1 1 B 122 122 ALA N N 122 124.570 123.146 1.424 2
1 1217 . 1 1 B 123 123 ASP H H 123 9.010 0.000 9.010 2
1 1218 . 1 1 B 123 123 ASP HA H 123 5.210 0.000 5.210 2
1 1221 . 1 1 B 123 123 ASP CA C 123 52.810 52.446 0.364 2
1 1222 . 1 1 B 123 123 ASP CB C 123 45.740 41.397 4.343 2
1 1223 . 1 1 B 123 123 ASP N N 123 119.260 119.754 -0.494 2
1 1224 . 1 1 B 124 124 GLY H H 124 8.580 0.000 8.580 2
1 1225 . 1 1 B 124 124 GLY HA2 H 124 4.540 3.869 0.671 2
1 1226 . 1 1 B 124 124 GLY HA3 H 124 4.030 3.869 0.161 2
1 1227 . 1 1 B 124 124 GLY CA C 124 46.100 46.664 -0.564 2
1 1228 . 1 1 B 124 124 GLY N N 124 108.300 107.313 0.987 2
1 1229 . 1 1 B 125 125 ASP H H 125 8.770 0.000 8.770 2
1 1230 . 1 1 B 125 125 ASP HA H 125 4.820 0.000 4.820 2
1 1233 . 1 1 B 125 125 ASP CA C 125 55.770 54.403 1.367 2
1 1234 . 1 1 B 125 125 ASP CB C 125 41.130 42.288 -1.158 2
1 1235 . 1 1 B 125 125 ASP N N 125 123.790 118.165 5.625 2
1 1236 . 1 1 B 126 126 PHE H H 126 8.120 0.000 8.120 2
1 1237 . 1 1 B 126 126 PHE HA H 126 4.990 0.000 4.990 2
1 1245 . 1 1 B 126 126 PHE CA C 126 56.050 56.319 -0.269 2
1 1246 . 1 1 B 126 126 PHE CB C 126 43.600 40.921 2.679 2
1 1249 . 1 1 B 126 126 PHE N N 126 123.140 121.033 2.107 2
1 1250 . 1 1 B 127 127 LYS H H 127 8.150 0.000 8.150 2
1 1251 . 1 1 B 127 127 LYS HA H 127 4.460 0.000 4.460 2
1 1260 . 1 1 B 127 127 LYS CA C 127 54.880 55.829 -0.949 2
1 1261 . 1 1 B 127 127 LYS CB C 127 34.680 33.249 1.431 2
1 1265 . 1 1 B 127 127 LYS N N 127 128.250 127.955 0.295 2
1 1266 . 1 1 B 128 128 ILE H H 128 8.540 0.000 8.540 2
1 1267 . 1 1 B 128 128 ILE HA H 128 3.340 0.000 3.340 2
1 1277 . 1 1 B 128 128 ILE CA C 128 63.150 61.957 1.193 2
1 1278 . 1 1 B 128 128 ILE CB C 128 37.290 37.711 -0.421 2
1 1282 . 1 1 B 128 128 ILE N N 128 127.360 127.838 -0.478 2
1 1283 . 1 1 B 129 129 LYS H H 129 9.250 0.000 9.250 2
1 1284 . 1 1 B 129 129 LYS CA C 129 55.510 56.167 -0.657 2
1 1285 . 1 1 B 129 129 LYS CB C 129 32.330 34.318 -1.988 2
1 1286 . 1 1 B 129 129 LYS N N 129 124.620 126.701 -2.081 2
1 1287 . 1 1 B 130 130 CYS H H 130 8.240 0.000 8.240 2
1 1288 . 1 1 B 130 130 CYS HA H 130 5.230 0.000 5.230 2
1 1291 . 1 1 B 130 130 CYS CA C 130 58.630 57.842 0.788 2
1 1292 . 1 1 B 130 130 CYS CB C 130 29.680 30.640 -0.960 2
1 1293 . 1 1 B 130 130 CYS N N 130 119.340 115.444 3.896 2
1 1294 . 1 1 B 131 131 VAL H H 131 8.980 0.000 8.980 2
1 1295 . 1 1 B 131 131 VAL HA H 131 4.720 0.000 4.720 2
1 1303 . 1 1 B 131 131 VAL CA C 131 61.320 60.409 0.911 2
1 1304 . 1 1 B 131 131 VAL CB C 131 34.550 35.013 -0.463 2
1 1307 . 1 1 B 131 131 VAL N N 131 127.500 124.377 3.123 2
1 1308 . 1 1 B 132 132 ALA H H 132 9.060 0.000 9.060 2
1 1309 . 1 1 B 132 132 ALA HA H 132 4.980 0.000 4.980 2
1 1313 . 1 1 B 132 132 ALA CA C 132 50.370 50.312 0.058 2
1 1314 . 1 1 B 132 132 ALA CB C 132 21.930 23.408 -1.478 2
1 1315 . 1 1 B 132 132 ALA N N 132 128.490 128.550 -0.060 2
1 1316 . 1 1 B 133 133 PHE H H 133 8.340 0.000 8.340 2
1 1317 . 1 1 B 133 133 PHE HA H 133 5.180 0.000 5.180 2
1 1325 . 1 1 B 133 133 PHE CA C 133 55.960 56.667 -0.707 2
1 1326 . 1 1 B 133 133 PHE CB C 133 40.100 40.930 -0.830 2
1 1327 . 1 1 B 133 133 PHE N N 133 120.310 119.029 1.281 2
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